930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(CCI)(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCI)	I(CC[6a]C)	C(C[6a]C[6a]O[6a])(CCI)(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCI){1|O<1>,2|C<3>}	I(CC[6a]C)	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	112.9173	0.649	3	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:I-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I)	I(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I){1|C<3>,2|H<1>}	I(CC[6a]C[5])	112.8435	1.125	2	112.8435	1.266	2	112.8435	1.266	2	112.9173	0.649	3	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	115.1250	0.553	2	115.1250	0.306	2	115.1250	0.306	2	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]N[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	I(CC[6a]C[5])	C(C[5]C[5,5]N[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	I(CC[6a]C[5])	115.1425	0.293	2	115.1425	0.086	2	114.4512	1.956	11	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	I(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	I(CC[6a]C[5])	111.9675	1.781	2	111.9675	3.173	2	114.4512	1.956	11	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]I)	I(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]I){1|C<3>,2|H<1>}	I(CC[6a]C[5])	115.5750	0.000	1	115.5750	0.000	1	114.4512	1.956	11	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	I(CC[6a]C[5])	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	I(CC[6a]C[5])	115.0710	0.000	1	115.0710	0.000	1	114.4512	1.956	11	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	I(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	I(CC[6a]C[5])	114.2530	0.000	1	114.2530	0.000	1	114.4512	1.956	11	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]I)	I(CC[6a]C[5])	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]I){1|H<1>,2|C<3>}	I(CC[6a]C[5])	114.9610	0.305	4	114.9610	0.093	4	114.4512	1.956	11	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5a]I)	I(CC[5a]C[6a])	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5a]I){1|C<3>,2|H<1>}	I(CC[5a]C[6a])	114.1930	1.310	2	114.1930	1.715	2	114.1930	1.715	2	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I)	I(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I){1|C<3>,2|H<1>}	I(CC[6a]C[6])	110.0650	1.617	3	110.0650	2.615	3	112.2393	7.209	6	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I)	I(CC[6a]C[6])	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I){1|C<3>,2|H<1>}	I(CC[6a]C[6])	114.4137	1.106	3	114.4137	1.224	3	112.2393	7.209	6	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCI)	I(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCI){1|C<4>,1|H<1>,5|C<3>}	I(CC[6a]C)	112.4080	0.000	1	112.5480	0.039	2	112.5480	0.039	2	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCI)	I(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCI){2|H<1>,5|C<3>}	I(CC[6a]C)	112.6880	0.000	1	112.5480	0.039	2	112.5480	0.039	2	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCI){1|H<1>,2|C<3>}	I(CC[6a]C)	115.1490	0.000	1	115.1490	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	115.3330	0.000	1	115.3330	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	113.2922	1.634	6	113.2922	2.669	6	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	112.6225	0.644	2	112.6225	0.415	2	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	113.9260	0.000	1	113.9260	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C[3])(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C[3])(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	114.2920	0.000	1	114.2920	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	112.1550	0.000	1	112.1550	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CCI){1|H<1>,4|C<3>}	I(CC[6a]C)	113.3880	0.000	1	113.3880	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]I)(I)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]I)(I)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCI){2|C<3>}	I(CC[6a]C)	113.6545	0.982	2	113.6545	0.965	2	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]I)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]I)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	114.2193	1.569	3	114.2193	2.461	3	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	114.5717	0.929	6	114.5717	0.863	6	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	113.2165	0.136	2	113.2165	0.019	2	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFN)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CFN)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	117.8220	0.000	1	117.8220	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHS)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	115.6175	1.074	2	115.6175	1.154	2	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]N)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]N)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	114.7870	0.000	1	114.7870	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]O)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]O)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	117.6650	0.000	1	117.6650	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSeH)(I)	C[6a](C[6a]C[6a]H)2(CCI)	I(CC[6a]C)	C(C[6a]C[6a]2)(CSeH)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	I(CC[6a]C)	115.4880	0.000	1	115.4880	0.000	1	114.2445	2.394	33	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]I)	I(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]I){1|C<3>,2|H<1>}	I(CC[6a]C[5])	113.0340	0.076	2	113.0340	0.006	2	112.7880	0.608	7	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	I(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	I(CC[6a]C[5])	112.6896	0.932	5	112.6896	0.869	5	112.7880	0.608	7	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I)	I(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I){1|C<3>,2|H<1>}	I(CC[6a]C[6])	112.6680	0.000	1	112.6680	0.000	1	112.6680	0.000	1	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	944	0:SP2_SP-NON_SP2	C	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:P-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PC[6a]Mn)(I)	C[6a](C[6a]C[6a]H)2(CIP)	I(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]Mn)(I)	C[6a](C[6a]C[6a]H)2(CIP){1|C<3>,2|H<1>}	I(CC[6a]P)	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	113.8934	2.802	65	113.9338	3.177	69	113.9338	3.177	69
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:P-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(PC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	P(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC[6a]O)2	115.3866	1.583	14	115.3866	2.507	14	115.3866	2.507	14	115.4649	2.307	16	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:P-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	P(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(CC[6a]O)	116.0125	1.155	2	116.0125	1.333	2	116.0125	1.333	2	115.4649	2.307	16	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:P-3:	C(C[6a]C[6a]2)(PCP)(O)	C[6a](C[6a]C[6a]H)2(COP)	P(CC[6a]O)2(PPP)	C(C[6a]C[6a]2)(PCP)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	P(CC[6a]O)2(PPP)	116.6925	1.624	6	116.6925	2.638	6	116.6925	2.638	6	117.3205	3.330	8	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-3:	C(C[6a]C[6a]2)(PNN)(O)	C[6a](C[6a]C[6a]H)2(COP)	P(CC[6a]O)(NCC)2	C(C[6a]C[6a]2)(PNN)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	P(CC[6a]O)(NCC)2	119.7780	0.000	1	119.7780	0.000	1	119.7780	0.000	1	117.3205	3.330	8	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(COP)	P(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]O)	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	117.3205	3.330	8	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(PCC)(O)	C[6a](C[6a]C[6a]H)2(COP)	P(CC[3x6]O)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(PCC)(O)	C[6a](C[6a]C[6a]H)2(COP){1|C<3>,2|H<1>}	P(CC[3x6]O)(CC[6a]O)(CC3)	117.3820	0.000	1	117.3820	0.000	1	117.5116	0.181	5	117.5116	0.181	5	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(PCC)(O)	C[6a](C[6a]C[6a]H)2(COP)	P(CC[6a]O)2(CH3)	C(C[6a]C[6a]2)(PCC)(O)	C[6a](C[6a]C[6a]H)2(COP){1|H<1>,2|C<3>}	P(CC[6a]O)2(CH3)	117.5440	0.483	4	117.5440	0.234	4	117.5116	0.181	5	117.5116	0.181	5	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:P-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-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)	P(C[6a]C[6a]2)2(CC[6a]C)	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>}	P(C[6a]C[6a]2)2(CC[6a]C)	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	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)	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	116.7261	26.409	9	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]P)	P(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]2)	C(C[6a]C[6a]2)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]2)	120.5765	11.324	2	120.5765	128.240	2	120.5765	128.240	2	116.7261	26.409	9	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C-3:N-3:	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[5,6]C[5,5,6]C[5,6])(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	P(C[5,6]C[5,5,6]C[5,6])(CC[6a]C)(NCC)	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	116.7261	26.409	9	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2)(CBC)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]2)(CBC)	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)	118.3680	0.000	1	118.3680	0.000	1	115.2826	3.696	5	116.7261	26.409	9	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]2)(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)	114.5113	0.981	4	114.5113	0.962	4	115.2826	3.696	5	116.7261	26.409	9	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(PC[6]2)(CMnC)	C[6a](C[6a]C[6a]H)2(CCP)	P(C[6]C[6]2H)2(CC[6a]C)	C(C[6a]C[6a]2)(PC[6]2)(CMnC)	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)	119.6630	0.000	1	119.6630	0.000	1	119.6630	0.000	1	119.6630	0.000	1	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	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-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)2(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)2(CC[6a]P)	125.1300	0.000	1	125.1300	0.000	1	124.9907	4.982	4	124.9907	4.982	4	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	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-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[6]C[6]2H)2(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[6]C[6]2H)2(CC[6a]P)	122.0530	0.000	1	122.0530	0.000	1	124.9907	4.982	4	124.9907	4.982	4	117.2915	13.585	44	117.2915	13.585	44
930	643	945	0:SP2_SP2_SP3	C	C[6a]	P	3:4:3:	3:3:3:	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-3:	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	C[6a](C[6a]C[6a]H)2(CPP)	P(C[6]C[6]2H)2(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[6]C[6]2H)2(CC[6a]P)	126.3900	1.543	2	126.3900	2.381	2	124.9907	4.982	4	124.9907	4.982	4	117.2915	13.585	44	117.2915	13.585	44
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	2:3:1:	3:3:3:	3:	N-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.8872	1.779	4	117.8872	3.164	4	117.8872	3.164	4	117.8872	3.164	4	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]H)	110.7770	5.347	2	110.7770	28.592	2	110.7770	28.592	2	115.1917	15.694	8	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	117.2750	0.000	1	117.2750	0.000	1	116.6633	5.858	6	115.1917	15.694	8	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.7368	0.285	4	117.7368	0.081	4	116.6633	5.858	6	115.1917	15.694	8	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	2:3:3:	3:	C[6a]-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO){2|C<3>}	H(CC[6a]O)	111.7580	0.000	1	111.7580	0.000	1	116.6633	5.858	6	115.1917	15.694	8	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHH){1|Co<6>,1|C<3>,1|H<1>}	H(CC[6a]H)	112.2455	4.187	2	112.2455	17.529	2	112.2455	17.529	2	116.2706	11.597	12	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	117.2970	0.000	1	117.2970	0.000	1	117.0756	7.907	10	116.2706	11.597	12	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	109.4290	0.000	1	116.7026	8.909	8	117.0756	7.907	10	116.2706	11.597	12	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	117.9090	0.000	1	116.7026	8.909	8	117.0756	7.907	10	116.2706	11.597	12	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.7647	0.898	3	116.7026	8.909	8	117.0756	7.907	10	116.2706	11.597	12	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.6630	0.346	3	116.7026	8.909	8	117.0756	7.907	10	116.2706	11.597	12	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:2:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	119.8380	0.000	1	119.8380	0.000	1	117.0756	7.907	10	116.2706	11.597	12	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(CHH)	H(CC[6a]H)	C(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]H)	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHH){1|H<1>,2|C<3>}	H(CC[6a]H)	115.0410	3.339	2	115.0410	11.149	2	111.1082	70.443	10	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]H)	105.2805	13.859	2	105.2805	192.060	2	111.1082	70.443	10	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHH)	H(CC[6a]H)	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]H)	112.8145	3.037	2	107.5998	41.280	4	111.1082	70.443	10	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHH)	H(CC[6a]H)	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHH){1|N<3>,2|H<1>}	H(CC[6a]H)	102.3850	2.417	2	107.5998	41.280	4	111.1082	70.443	10	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)2(CHH)	H(CC[6a]H)	C(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)2(CHH){1|S<2>}	H(CC[6a]H)	120.0200	0.057	2	120.0200	0.003	2	111.1082	70.443	10	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CHH){1|C<2>,1|N<3>,1|O<1>}	H(CC[6a]H)	120.0155	0.036	2	120.0155	0.001	2	120.0155	0.001	2	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a]Cu)(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a]Cu)(C[6a]C[6a]H)(CHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]H)	107.3095	1.593	2	107.3095	2.538	2	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a]Pd)(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a]Pd)(C[6a]C[6a]H)(CHH){1|H<1>,2|C<3>}	H(CC[6a]H)	111.2385	1.429	2	111.2385	2.042	2	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a]Re)(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a]Re)(C[6a]C[6a]H)(CHH){1|H<1>,2|C<3>}	H(CC[6a]H)	113.2615	3.499	2	113.2615	12.246	2	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]H)	119.9845	0.039	2	116.0645	20.520	4	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,2|C<3>,2|N<3>}	H(CC[6a]H)	112.1445	0.305	2	116.0645	20.520	4	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<3>,1|P<2>,2|C<3>}	H(CC[6a]H)	120.0250	0.000	1	119.9976	0.001	7	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,2|C<3>,2|N<3>}	H(CC[6a]H)	120.0215	0.043	2	119.9976	0.001	7	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]H)	119.9755	0.032	2	119.9976	0.001	7	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	H(CC[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]H)	119.9820	0.031	2	119.9976	0.001	7	115.7565	25.041	17	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[4,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[4,6a]C[6a])(H)(O)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[4,6a]C[6a])(H)(O)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]O)	116.2060	0.000	1	116.2060	0.000	1	116.2060	0.000	1	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]O)	117.9580	0.000	1	117.9580	0.000	1	117.4515	1.024	8	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]O)	118.3580	0.000	1	118.3580	0.000	1	117.4515	1.024	8	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CHO){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]O)	116.6890	0.000	1	116.6890	0.000	1	117.4515	1.024	8	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(CC[6a]O)	116.8790	0.000	1	116.8790	0.000	1	117.4515	1.024	8	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]O)	116.7400	0.000	1	116.7400	0.000	1	117.4515	1.024	8	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]O)	117.7550	0.000	1	117.7550	0.000	1	117.4515	1.024	8	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]O)	116.1120	0.000	1	116.1120	0.000	1	117.4515	1.024	8	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(CC[6a]O)	119.1210	0.000	1	119.1210	0.000	1	117.4515	1.024	8	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]O)	118.4710	0.000	1	118.4710	0.000	1	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO){1|O<2>,4|C<3>}	H(CC[6a]O)	117.9000	0.000	1	117.9000	0.000	1	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	117.8180	0.000	1	117.8180	0.000	1	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]O)	118.5850	0.000	1	118.5850	0.000	1	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	H(CC[6a]O)	116.2290	0.000	1	117.5895	0.826	4	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]O)	118.0430	0.068	3	117.5895	0.826	4	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO){5|C<3>}	H(CC[6a]O)	115.4270	0.000	1	115.4270	0.000	1	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	117.2070	0.000	1	117.2070	0.000	1	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	H(CC[6a]O)	116.7780	0.000	1	116.7550	0.033	3	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	116.7435	0.255	2	116.7550	0.033	3	117.3870	0.903	13	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[5a,6,6a]O[6])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[5a,6,6a]O[6])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6a]O)	117.5680	0.000	1	117.5680	0.000	1	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CHO){1|C<3>,3|C<4>}	H(CC[6a]O)	117.9480	0.000	1	117.9480	0.000	1	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CHO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	118.2110	0.000	1	118.2110	0.000	1	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(CHO){1|C<3>,1|O<2>,4|C<4>}	H(CC[6a]O)	117.5950	0.424	2	117.5950	0.180	2	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]O)	117.2893	0.759	3	117.2893	0.576	3	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHO){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]O)	116.6880	0.000	1	116.6880	0.000	1	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]O)	115.2090	0.000	1	118.0112	2.486	5	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	118.7117	0.206	4	118.0112	2.486	5	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	117.5890	0.000	1	117.5890	0.000	1	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CHO){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]O)	118.0220	0.000	1	118.0220	0.000	1	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CHO){1|C<3>,3|C<4>}	H(CC[6a]O)	117.8390	0.023	2	117.8390	0.001	2	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]O)	118.2660	0.000	1	117.7597	0.654	8	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(H)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>}	H(CC[6a]O)	117.6874	0.845	7	117.7597	0.654	8	117.7268	0.736	26	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]2)(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHO){2|H<1>,5|C<3>}	H(CC[6a]O)	116.2135	1.152	4	116.2135	1.328	4	116.6632	2.007	5	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(H)(O)	C[6a](C[6a,6a]C[6a,6a]S[6a])2(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]2)(H)(O)	C[6a](C[6a,6a]C[6a,6a]S[6a])2(CHO){2|S<2>,3|C<3>}	H(CC[6a]O)	118.4620	0.000	1	118.4620	0.000	1	116.6632	2.007	5	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	115.8092	0.425	4	115.8092	0.180	4	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]O)	118.3670	0.000	1	118.3670	0.000	1	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	H(CC[6a]O)	117.7057	0.211	4	117.7057	0.045	4	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]O)	117.5210	0.000	1	117.5210	0.000	1	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]O)	115.8720	0.000	1	115.8720	0.000	1	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]O)	118.6080	0.000	1	117.4470	3.712	9	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	117.0070	2.553	4	117.4470	3.712	9	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	H(CC[6a]O)	118.3455	1.716	2	117.4470	3.712	9	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	116.8480	1.655	2	117.4470	3.712	9	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	116.4700	0.000	1	116.4700	0.000	1	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CHO){1|H<1>,5|C<3>}	H(CC[6a]O)	116.1880	0.000	1	116.1880	0.000	1	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]O)	117.8700	0.053	3	117.1392	2.619	20	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	116.7570	2.217	3	117.1392	2.619	20	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	116.3887	1.140	10	117.1392	2.619	20	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|O<2>,3|C<3>}	H(CC[6a]O)	118.7537	1.836	4	117.1392	2.619	20	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHO){1|H<1>,3|C<3>}	H(CC[6a]O)	118.6570	0.000	1	118.6570	0.000	1	117.1382	2.292	43	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CHO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]O)	117.5460	0.000	1	117.5460	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CHO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	118.6060	0.000	1	118.6060	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(CHO){1|C<3>,2|O<2>}	H(CC[6a]O)	117.9160	0.000	1	117.9160	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	115.0340	0.000	1	116.6963	2.129	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]O)	117.7660	0.000	1	116.6963	2.129	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	117.2890	0.000	1	116.6963	2.129	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	117.7300	0.358	2	117.7300	0.128	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	117.2650	0.000	1	117.2650	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	117.7063	0.162	3	117.7063	0.026	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHO){4|C<3>}	H(CC[6a]O)	117.5263	0.467	6	117.5263	0.218	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CHO){1|O<2>,2|C<3>}	H(CC[6a]O)	117.9270	0.000	1	117.9270	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]O)	117.5650	0.000	1	117.0757	0.274	9	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	117.4390	0.000	1	117.0757	0.274	9	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]O)	117.3330	0.000	1	117.0757	0.274	9	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	116.8907	0.556	6	117.0757	0.274	9	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	113.6380	0.000	1	116.3767	5.655	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.7460	0.245	2	116.3767	5.655	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CHO){1|H<1>,4|C<3>}	H(CC[6a]O)	117.6030	0.859	7	117.6030	0.738	7	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	119.2840	0.000	1	119.2840	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6a]O)	118.0715	0.293	2	118.0184	0.076	5	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]O)	117.8320	0.264	2	118.0184	0.076	5	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHO){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]O)	118.2850	0.000	1	118.0184	0.076	5	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	118.0150	0.031	2	118.0150	0.001	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHO){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]O)	116.4067	1.292	3	116.4067	1.670	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHO){1|C<3>,2|C<4>}	H(CC[6a]O)	116.8960	0.000	1	116.8960	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]O)	116.2133	1.948	4	116.7669	2.116	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.3205	0.571	4	116.7669	2.116	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	117.7500	0.000	1	118.1410	0.306	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	118.5320	0.000	1	118.1410	0.306	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	117.8068	0.612	5	117.8755	0.328	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	118.2190	0.000	1	117.8755	0.328	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.2630	0.000	1	117.2630	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]O)	118.2730	0.000	1	117.7915	0.464	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	H(CC[6a]O)	117.3100	0.000	1	117.7915	0.464	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){1|Br<1>,4|C<3>}	H(CC[6a]O)	118.0430	0.486	2	118.0430	0.237	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	114.8280	3.350	2	114.8280	11.224	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	116.5697	1.896	3	116.5697	3.595	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	116.4510	0.000	1	116.4510	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	118.1270	0.000	1	117.8865	0.089	4	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHO){3|C<3>}	H(CC[6a]O)	117.8063	0.307	3	117.8865	0.089	4	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO){2|C<3>}	H(CC[6a]O)	118.6997	1.449	8	118.6997	2.098	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO){2|C<3>}	H(CC[6a]O)	118.0460	0.044	2	118.0460	0.002	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CHO){2|C<3>}	H(CC[6a]O)	114.6880	0.000	1	114.6880	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	114.5500	3.800	2	114.5500	14.440	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHO){2|C<3>}	H(CC[6a]O)	117.1030	0.000	1	117.1030	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	118.0383	0.231	6	117.7546	0.649	9	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHO){1|O<2>,2|C<3>}	H(CC[6a]O)	117.1870	1.318	3	117.7546	0.649	9	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHO){1|O<2>,2|C<3>}	H(CC[6a]O)	116.4550	0.000	1	116.4550	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHO){2|C<3>}	H(CC[6a]O)	118.0278	0.321	22	118.0278	0.103	22	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.8750	0.000	1	117.8750	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	116.8600	0.000	1	116.8600	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]O)	118.0113	0.290	3	117.3475	2.985	19	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	H(CC[6a]O)	115.5406	2.084	5	117.3475	2.985	19	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	117.9947	1.312	9	117.3475	2.985	19	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHO){5|C<3>}	H(CC[6a]O)	117.9565	0.499	2	117.3475	2.985	19	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO){1|O<2>,4|C<3>}	H(CC[6a]O)	116.8430	0.000	1	117.0625	0.096	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHO){5|C<3>}	H(CC[6a]O)	117.2820	0.000	1	117.0625	0.096	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)2(CHO){1|C<2>,1|H<1>,5|C<3>}	H(CC[6a]O)	113.8715	0.496	2	115.0550	4.325	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]2)2(CHO){1|H<1>,6|C<3>}	H(CC[6a]O)	117.4220	0.000	1	115.0550	4.325	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	113.8360	0.000	1	113.8360	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	117.6720	0.000	1	117.6720	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]B)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	118.8840	0.000	1	118.8840	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]O)	118.5955	0.289	2	119.1765	6.392	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	118.2710	0.000	1	119.1765	6.392	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	120.5360	4.052	3	119.1765	6.392	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHO){1|C<3>,2|O<2>}	H(CC[6a]O)	118.1710	1.660	2	119.1765	6.392	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	118.6890	0.000	1	118.6890	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHO){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]O)	116.5680	0.000	1	116.5680	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]O)	118.0160	0.000	1	117.4513	2.110	22	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	116.5520	0.117	3	117.4513	2.110	22	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	119.1210	0.000	1	117.4513	2.110	22	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	118.3620	0.000	1	117.4513	2.110	22	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.3113	1.579	15	117.4513	2.110	22	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	119.1040	0.000	1	117.4513	2.110	22	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.4500	0.000	1	117.4500	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]O)	116.6283	0.241	3	117.5065	1.473	17	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	117.2570	1.186	3	117.5065	1.473	17	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]O)	118.1790	0.225	2	117.5065	1.473	17	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	118.2490	1.446	6	117.5065	1.473	17	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	116.2060	0.109	2	117.5065	1.473	17	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	117.6900	0.000	1	117.5065	1.473	17	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C)2(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	115.6380	0.000	1	115.6380	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHO){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]O)	117.8750	0.000	1	117.8750	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]O)	118.3510	0.000	1	118.2325	0.028	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,2|N<3>,3|H<1>}	H(CC[6a]O)	118.1140	0.000	1	118.2325	0.028	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHO){1|C<3>,2|S<2>,3|H<1>}	H(CC[6a]O)	115.8710	0.000	1	115.8710	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	116.4160	0.000	1	116.4160	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	119.1230	1.656	3	118.2868	3.167	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]O)	118.7300	0.000	1	118.2868	3.167	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	115.4510	0.000	1	118.2868	3.167	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	118.1710	0.000	1	118.2868	3.167	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	118.3000	0.000	1	118.3000	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Cl)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	114.4290	0.000	1	114.4290	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	118.6300	0.000	1	117.1500	4.381	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]O)	115.6700	0.000	1	117.1500	4.381	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	117.9210	0.000	1	117.9210	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	116.8870	0.000	1	116.8870	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	118.0610	0.000	1	118.0610	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	118.2190	0.000	1	118.2190	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	118.4963	1.351	3	117.2633	1.852	32	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]O)	116.5120	0.000	1	117.2633	1.852	32	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	117.8640	0.000	1	117.2633	1.852	32	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.1425	1.382	26	117.2633	1.852	32	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	116.8570	0.000	1	117.2633	1.852	32	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]O)	117.6847	0.359	7	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	117.9260	0.073	5	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]O)	118.2950	0.123	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,2|C<3>}	H(CC[6a]O)	115.5645	1.880	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]O)	117.4155	0.070	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]O)	116.3520	0.000	1	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	117.1023	1.387	9	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]O)	118.1420	0.000	1	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]O)	117.7830	0.129	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]O)	116.8257	1.935	7	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	118.0945	0.432	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	117.7652	0.836	32	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|I<1>,1|N<3>}	H(CC[6a]O)	119.7060	0.000	1	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|N<2>,1|O<2>}	H(CC[6a]O)	117.4813	0.782	8	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>}	H(CC[6a]O)	117.4443	0.748	14	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.7400	1.742	57	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	116.9203	2.969	23	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]O)	117.7730	0.061	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|F<1>}	H(CC[6a]O)	118.2820	0.000	1	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	117.8505	0.353	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,2|C<3>}	H(CC[6a]O)	116.6777	2.078	3	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.9197	0.285	19	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|O<2>,2|C<3>}	H(CC[6a]O)	114.0630	0.133	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6a]O)	117.9370	0.290	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Br<1>,1|C<3>}	H(CC[6a]O)	118.9282	2.102	4	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Cl<1>,1|C<3>}	H(CC[6a]O)	118.0980	0.147	2	117.5588	2.544	212	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.3973	0.791	3	117.3973	0.625	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	119.4390	0.000	1	116.7422	4.792	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	115.6424	2.013	5	116.7422	4.792	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	118.1435	0.306	2	116.7422	4.792	8	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){1|C<3>,1|H<1>}	H(CC[6a]O)	117.8225	0.698	2	117.1007	4.365	7	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){2|C<3>}	H(CC[6a]O)	116.8120	2.462	5	117.1007	4.365	7	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|B<3>,1|C<3>,1|H<1>}	H(CC[6a]O)	115.7990	0.000	1	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	117.0530	0.690	2	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	116.6545	1.919	14	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	116.2333	2.066	78	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]O)	117.9210	0.000	1	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|I<1>,1|O<2>}	H(CC[6a]O)	117.0195	0.293	2	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]O)	118.2850	0.000	1	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|C<4>}	H(CC[6a]O)	116.9707	0.198	6	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.3698	1.536	189	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|N<3>}	H(CC[6a]O)	117.8405	1.288	2	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|O<2>}	H(CC[6a]O)	117.3483	0.442	4	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|S<2>}	H(CC[6a]O)	117.9060	0.310	2	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	117.4362	0.332	5	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	117.7540	0.000	1	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.3753	0.466	22	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6a]O)	116.2324	2.216	9	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|N<2>,2|H<1>}	H(CC[6a]O)	118.4593	0.334	3	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|O<2>,2|C<3>}	H(CC[6a]O)	117.2920	0.838	4	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]O)	117.5730	0.021	2	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Pd<5>,1|C<3>,1|H<1>}	H(CC[6a]O)	116.9960	0.000	1	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6a]O)	117.2680	0.000	1	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){1|Ru<9>,1|C<3>,1|H<1>}	H(CC[6a]O)	117.8080	0.097	3	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){2|Br<1>,1|C<3>}	H(CC[6a]O)	117.8520	0.000	1	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CHO){2|Cl<1>,1|C<3>}	H(CC[6a]O)	117.7825	0.306	2	117.0764	2.732	356	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]I)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]I)2(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	117.5470	0.000	1	117.5470	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	116.8740	0.000	1	116.8740	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	119.1620	0.007	2	119.1620	0.000	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]O)	117.1340	0.000	1	117.1340	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]O)	117.1300	0.000	1	117.1300	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CHO){4|C<3>}	H(CC[6a]O)	118.1620	0.000	1	118.1620	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(CHO){1|C<2>,1|H<1>,3|C<3>}	H(CC[6a]O)	117.9060	0.000	1	117.9060	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]O)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]O)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	114.8015	1.920	2	116.6887	3.127	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]O)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]O)2(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.6322	0.649	4	116.6887	3.127	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	118.7930	0.337	2	118.1540	1.282	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	116.8760	0.000	1	118.1540	1.282	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	H(CC[6a]O)	117.5900	0.000	1	117.5900	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CHO){2|C<3>}	H(CC[6a]O)	116.2340	0.000	1	116.2340	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHO){2|C<3>}	H(CC[6a]O)	114.0340	0.000	1	114.0340	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	H(CC[6a]O)	117.1431	0.319	14	117.1431	0.102	14	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	118.1963	0.234	3	117.9805	0.223	4	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.3330	0.000	1	117.9805	0.223	4	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	117.0810	0.000	1	116.5353	2.405	7	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,2|C<4>}	H(CC[6a]O)	114.8920	2.592	2	116.5353	2.405	7	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	H(CC[6a]O)	117.2205	0.210	4	116.5353	2.405	7	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	H(CC[6a]O)	116.9773	0.245	6	116.9773	0.060	6	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	116.3320	0.171	2	116.3320	0.029	2	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO){1|C<3>,2|C<4>}	H(CC[6a]O)	116.6587	0.321	3	116.6587	0.103	3	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO){1|C<3>,2|C<4>}	H(CC[6a]O)	117.3250	0.000	1	117.3250	0.000	1	117.3039	2.452	901	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:1:1:	3:3:3:	3:	C[6a]-3:H-1:O-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO){1|O<1>,4|C<3>}	H(CC[6a]O)	116.9270	0.000	1	116.9270	0.000	1	116.9270	0.000	1	117.2273	3.731	1028	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.5613	0.651	3	119.5613	0.424	3	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	H(CC[6a]N)	116.5890	2.316	3	116.5890	5.366	3	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.5080	0.000	1	119.5080	0.000	1	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.1723	0.447	3	119.1723	0.199	3	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]N)	119.0060	0.093	3	117.8272	5.452	14	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	117.3210	1.980	2	117.8272	5.452	14	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.5468	2.774	9	117.8272	5.452	14	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	H(CC[6a]N)	119.4940	0.000	1	119.4940	0.000	1	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.9340	0.000	1	119.9340	0.000	1	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	119.3260	0.000	1	119.9279	2.341	19	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.9614	1.567	18	119.9279	2.341	19	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	H(CC[6a]N)	119.3825	0.121	2	119.3825	0.015	2	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	2:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.9640	0.000	1	119.9640	0.000	1	118.9968	3.866	48	118.9968	3.866	48	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	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>}	H(CC[6a]C)	122.6930	0.000	1	122.6930	0.000	1	122.6930	0.000	1	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.9501	2.021	8	118.8847	2.680	12	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.7537	0.514	4	118.8847	2.680	12	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.4460	0.093	2	119.1428	0.084	10	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.0670	0.272	8	119.1428	0.084	10	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.5160	0.000	1	119.8990	1.459	3	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	120.5905	0.221	2	119.8990	1.459	3	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.0920	0.000	1	119.0920	0.000	1	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.8530	0.000	1	118.7104	1.364	14	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.1236	0.264	5	118.7104	1.364	14	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.4344	1.511	8	118.7104	1.364	14	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.2295	0.323	2	118.7847	0.588	32	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	118.4910	0.000	1	118.7847	0.588	32	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.6863	0.271	4	118.7847	0.588	32	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.6046	0.996	16	118.7847	0.588	32	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.0826	0.386	9	118.7847	0.588	32	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN){1|C<3>,1|H<1>}	H(CC[6a]N)	119.7430	0.337	2	119.7430	0.113	2	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.1000	0.000	1	120.1000	0.000	1	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.2765	0.108	2	120.2765	0.012	2	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	120.1500	0.000	1	118.6203	4.685	97	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	120.1358	0.429	4	118.6203	4.685	97	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	120.5090	0.000	1	118.6203	4.685	97	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.5158	2.152	78	118.6203	4.685	97	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.6676	2.209	5	118.6203	4.685	97	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|N<2>,2|C<3>}	H(CC[6a]N)	121.0630	0.492	2	118.6203	4.685	97	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	H(CC[6a]N)	117.5453	2.752	6	118.6203	4.685	97	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.0715	0.411	2	118.0715	0.169	2	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.0480	0.000	1	120.0480	0.000	1	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.0520	0.000	1	120.0520	0.000	1	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	H(CC[6a]N)	120.8360	0.320	2	120.8360	0.102	2	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	120.3580	0.000	1	120.3580	0.000	1	118.8092	3.057	181	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHN)	H(CC[6a]N)	C(C[6a]C[6a]O[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHN){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]N)	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	118.8406	3.124	183	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a,6a]-3:C[6a,6a]-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)	H(CC[6a]C)	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>}	H(CC[6a]C)	117.8500	0.000	1	117.8500	0.000	1	117.8500	0.000	1	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CFe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CFe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.3870	0.580	2	117.3870	0.336	2	117.3870	0.336	2	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-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)	H(CC[6a]C)	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>}	H(CC[6a]C)	116.9730	0.008	2	116.9730	0.000	2	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-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)	H(CC[6a]C)	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>}	H(CC[6a]C)	112.6930	0.000	1	112.6930	0.000	1	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3876	1.539	13	116.3876	2.369	13	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-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)	H(CC[6a]C)	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>}	H(CC[6a]C)	115.5320	0.000	1	115.5320	0.000	1	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFe)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFe)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	118.2750	0.106	2	118.2750	0.011	2	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	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>}	H(CC[6a]C)	119.2560	0.000	1	119.2560	0.000	1	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CMo)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CMo)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.8850	0.000	1	114.8850	0.000	1	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COs)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(COs)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	118.1050	0.692	2	118.1050	0.478	2	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRu)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRu)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	119.7740	7.440	5	119.7740	55.356	5	117.1779	12.177	28	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5,6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	C[6a](C[5,6,6a]C[5,6,6a]Ge[5,5,6])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	C[6a](C[5,6,6a]C[5,6,6a]Ge[5,5,6])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	H(CC[6a]N)	118.7480	0.000	1	118.7480	0.000	1	118.7480	0.000	1	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHN){1|Se<2>,1|H<1>,2|C<3>}	H(CC[6a]N)	120.7290	0.000	1	120.7290	0.000	1	120.5774	1.273	5	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	H(CC[6a]N)	119.6240	0.000	1	119.6240	0.000	1	120.5774	1.273	5	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHN){1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]N)	121.6540	0.132	2	121.6540	0.017	2	120.5774	1.273	5	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(CC[6a]N)	119.2260	0.000	1	119.2260	0.000	1	120.5774	1.273	5	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	119.4425	0.161	2	119.1658	0.219	4	119.2271	0.820	13	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]N)	118.8890	0.570	2	119.1658	0.219	4	119.2271	0.820	13	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.9170	0.000	1	118.9170	0.000	1	119.2271	0.820	13	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.2580	0.542	3	118.2580	0.294	3	119.2271	0.820	13	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	120.2740	0.252	2	120.2740	0.063	2	119.2271	0.820	13	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHN){1|H<1>,3|C<3>}	H(CC[6a]N)	118.3410	0.000	1	118.3410	0.000	1	119.2271	0.820	13	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|Br<1>,1|O<2>,3|C<3>}	H(CC[6a]N)	120.1490	0.000	1	120.3545	0.084	2	119.2271	0.820	13	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N)	120.5600	0.000	1	120.3545	0.084	2	119.2271	0.820	13	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NC[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NC[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN){1|Ga<4>,1|C<4>,2|C<3>}	H(CC[6a]N)	118.5380	0.000	1	118.5380	0.000	1	119.0123	0.929	11	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.0860	0.911	6	119.0860	0.830	6	119.0123	0.929	11	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHN){2|C<3>,2|C<4>}	H(CC[6a]N)	118.4005	1.501	2	118.4005	2.254	2	119.0123	0.929	11	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NN)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N)	119.6400	1.047	2	119.6400	1.095	2	119.0123	0.929	11	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	117.6055	1.028	4	117.6055	1.058	4	117.7176	1.569	39	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	117.8537	0.559	3	117.8537	0.312	3	117.7176	1.569	39	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CHN){1|H<1>,1|N<2>,5|C<3>}	H(CC[6a]N)	117.4080	0.000	1	117.4080	0.000	1	117.7176	1.569	39	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	118.6896	0.960	8	118.6896	0.922	8	117.7176	1.569	39	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	117.2818	1.331	21	117.2818	1.771	21	117.7176	1.569	39	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	117.9800	0.000	1	117.9800	0.000	1	117.7176	1.569	39	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	119.1790	0.000	1	119.1790	0.000	1	117.7176	1.569	39	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.8592	0.401	5	118.8592	0.160	5	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N)	119.4325	0.043	2	117.3600	8.272	4	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|H<1>,4|C<3>}	H(CC[6a]N)	113.3340	0.000	1	117.3600	8.272	4	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.2410	0.000	1	117.3600	8.272	4	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.4717	0.922	7	118.4717	0.850	7	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	H(CC[6a]N)	117.8790	0.000	1	117.8790	0.000	1	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[3])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.9250	0.000	1	116.9250	0.000	1	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.2225	0.194	2	119.2225	0.038	2	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.6780	0.000	1	117.6780	0.000	1	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.3524	1.481	12	119.3524	2.194	12	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.3267	0.063	3	117.3267	0.004	3	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.9603	0.776	3	118.9603	0.602	3	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]N)	115.5610	0.000	1	116.8642	1.884	4	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.2987	1.302	3	116.8642	1.884	4	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.7683	0.993	45	118.7683	0.986	45	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.1497	0.501	4	119.1497	0.251	4	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]N)	120.2990	0.000	1	119.0625	3.192	14	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]N)	118.0127	2.756	4	119.0625	3.192	14	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.3917	1.214	9	119.0625	3.192	14	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.1776	0.957	64	119.1776	0.916	64	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHN){1|H<1>,3|C<3>}	H(CC[6a]N)	117.8955	3.046	2	117.8955	9.275	2	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	H(CC[6a]N)	118.9040	0.000	1	118.9040	0.000	1	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.9727	0.302	3	119.9727	0.091	3	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.8632	0.411	5	119.8632	0.169	5	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.5056	1.104	10	119.5056	1.220	10	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	H(CC[6a]N)	119.8150	0.000	1	119.8150	0.000	1	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.6240	0.000	1	119.6240	0.000	1	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.2090	0.013	2	119.2090	0.000	2	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NN[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NN[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	120.8110	0.000	1	120.8110	0.000	1	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CHN){1|H<1>,4|C<3>}	H(CC[6a]N)	119.4490	0.000	1	119.4490	0.000	1	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]N)	120.2147	0.295	4	119.4513	1.419	8	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.6877	1.292	4	119.4513	1.419	8	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.5012	1.274	5	118.5012	1.624	5	118.9673	1.504	210	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.4690	0.000	1	117.4690	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.5803	0.396	14	118.5803	0.156	14	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	117.0065	2.682	2	117.0065	7.193	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	H(CC[6a]N)	119.7210	0.000	1	119.7210	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN){2|C<3>}	H(CC[6a]N)	117.7365	0.876	2	117.7365	0.768	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	115.8090	0.000	1	115.8090	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){1|H<1>,4|C<3>}	H(CC[6a]N)	118.7377	0.877	6	118.6667	0.677	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.2410	0.000	1	118.6667	0.677	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	121.2672	0.421	4	121.2672	0.177	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.7240	0.000	1	118.7240	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.7905	0.179	2	117.7905	0.032	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N)	119.4377	0.161	3	119.4377	0.026	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9430	0.000	1	116.9430	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	119.6085	0.202	2	119.1106	0.370	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.1107	0.481	4	119.1106	0.370	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.1140	0.000	1	119.1106	0.370	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.9190	0.000	1	118.9190	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.3490	0.733	4	119.3544	0.403	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.3760	0.000	1	119.3544	0.403	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.5820	0.241	3	117.5820	0.058	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	120.8165	0.407	2	120.8165	0.165	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3150	0.000	1	115.3150	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6984	0.891	16	117.5418	1.144	18	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|N<3>}	H(CC[6a]N)	114.8730	0.000	1	117.5418	1.144	18	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.7050	0.000	1	117.5418	1.144	18	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.2604	0.346	22	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	118.7585	0.005	2	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.7043	1.100	19	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	118.9670	0.497	6	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	119.6367	0.211	3	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	118.4591	0.935	7	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.8035	0.743	31	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	118.5207	1.445	20	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.8514	1.756	124	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	H(CC[6a]N)	118.8400	0.180	3	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|S<2>}	H(CC[6a]N)	119.3190	0.000	1	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	118.5822	0.968	5	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	117.8950	0.000	1	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.7435	1.242	14	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.9024	0.752	33	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]N)	118.9303	0.394	3	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	119.2422	0.699	5	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	117.9364	2.576	8	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	119.6510	0.000	1	118.8261	1.876	308	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.9136	1.455	5	117.9136	2.117	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.7680	0.000	1	118.7680	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	H(CC[6a]N)	118.9060	0.167	3	118.9060	0.028	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.1770	0.675	2	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.2812	0.364	6	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.1270	0.000	1	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	118.7523	0.284	10	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.8020	1.391	10	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3744	0.982	122	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	117.6513	0.421	3	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	119.4020	1.266	6	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.6870	0.000	1	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.5206	1.220	19	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	H(CC[6a]N)	118.7470	0.407	3	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	112.2290	0.000	1	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	H(CC[6a]N)	118.8394	0.631	18	118.4253	1.168	202	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6280	0.000	1	116.6280	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.6397	0.505	3	118.6397	0.255	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.1910	0.000	1	119.1593	0.018	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	119.1435	0.185	2	119.1593	0.018	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.6840	0.000	1	118.6840	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.9890	0.477	2	118.9890	0.227	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.5001	2.562	7	115.5001	6.565	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5,6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5,6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.0660	0.000	1	119.0660	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.4940	0.000	1	118.9368	0.134	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	118.6520	0.000	1	118.9368	0.134	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.2240	0.263	2	118.9368	0.134	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.0900	0.000	1	118.9368	0.134	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.7417	0.257	3	118.7417	0.066	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.5310	0.300	4	118.7016	0.213	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	119.3840	0.000	1	118.7016	0.213	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.7540	0.146	2	118.7540	0.021	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.5540	0.000	1	119.5540	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.8130	0.000	1	119.8130	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN){2|C<3>}	H(CC[6a]N)	118.9560	0.000	1	118.9560	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.1950	0.000	1	120.1950	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.8105	0.445	2	119.8105	0.198	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.4502	0.388	4	119.5686	0.183	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	120.0420	0.000	1	119.5686	0.183	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.7255	0.278	2	118.7255	0.077	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	118.8073	0.143	3	118.8073	0.021	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.0920	0.000	1	120.0920	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.8625	0.667	2	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	119.0410	0.000	1	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	119.0160	0.000	1	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.1585	0.685	2	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.0161	0.562	11	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.1281	0.511	39	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	H(CC[6a]N)	119.3500	0.000	1	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.4360	0.302	4	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|O<2>}	H(CC[6a]N)	119.9840	0.000	1	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	119.2003	0.297	3	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	119.3870	0.035	2	119.1451	0.243	67	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.2980	0.000	1	120.2980	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.6290	0.000	1	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]N)	119.6140	0.000	1	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	120.2385	0.193	2	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.2335	0.439	24	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]N)	118.4100	0.000	1	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.4784	1.037	66	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	118.4655	0.028	2	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.9060	0.008	2	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	H(CC[6a]N)	119.2030	0.000	1	118.7325	0.922	100	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.7070	0.000	1	118.7070	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.7400	0.000	1	119.7400	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	118.8815	0.098	2	118.8943	0.005	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.9200	0.000	1	118.8943	0.005	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.4175	0.674	4	118.4175	0.455	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.2580	3.335	2	116.2580	11.120	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.6830	0.319	3	119.6830	0.102	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.0255	0.193	2	119.4113	0.143	6	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.6043	0.277	4	119.4113	0.143	6	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.5765	0.185	2	118.5765	0.034	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.2980	0.346	2	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	118.9380	0.000	1	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,2|C<3>}	H(CC[6a]N)	118.9836	0.317	12	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.3847	1.647	7	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	118.5700	0.083	2	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.3449	0.271	9	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.5031	1.464	9	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.9070	3.128	7	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6746	2.141	20	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	118.7423	0.621	50	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.8648	2.474	4	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	H(CC[6a]N)	118.8087	0.378	12	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|F<1>,2|C<3>}	H(CC[6a]N)	118.8239	0.399	12	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	115.8396	2.290	5	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|O<2>,2|C<3>}	H(CC[6a]N)	119.0488	0.526	12	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Se<1>,1|Se<2>,1|C<3>}	H(CC[6a]N)	118.8350	0.000	1	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Se<1>,1|C<3>}	H(CC[6a]N)	119.1880	0.000	1	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	118.9937	1.244	12	118.4132	2.262	178	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.5616	1.187	7	119.5616	1.410	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	H(CC[6a]N)	117.4485	1.781	2	117.4485	3.173	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.2624	1.226	75	118.3434	1.308	94	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.8184	0.424	14	118.3434	1.308	94	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	H(CC[6a]N)	118.4500	1.077	4	118.3434	1.308	94	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	117.3460	0.000	1	118.3434	1.308	94	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.8810	0.000	1	117.8810	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.3690	0.000	1	118.3690	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHN){4|C<3>}	H(CC[6a]N)	117.2080	0.000	1	117.2080	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.3700	0.000	1	118.3700	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.1040	0.042	3	118.1040	0.002	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	H(CC[6a]N)	118.4940	1.162	2	118.4940	1.351	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN){2|C<3>}	H(CC[6a]N)	119.3425	0.564	2	119.3425	0.318	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.9830	0.721	11	118.9830	0.519	11	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CHN){2|C<3>}	H(CC[6a]N)	117.2680	0.000	1	117.2680	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.2160	0.000	1	120.2160	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.0750	0.000	1	119.2790	0.083	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.4830	0.000	1	119.2790	0.083	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.5698	1.915	9	118.5698	3.669	9	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.5227	1.143	11	118.5227	1.307	11	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.0910	0.000	1	117.0735	0.001	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.0560	0.000	1	117.0735	0.001	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.6770	0.501	5	118.9451	1.100	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.6155	2.082	2	118.9451	1.100	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.1052	0.415	8	118.1052	0.172	8	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.8480	0.000	1	118.8480	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.5364	0.382	13	119.4342	0.126	21	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.2681	0.247	8	119.4342	0.126	21	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	114.4665	4.093	2	117.5318	4.565	10	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.2981	0.346	8	117.5318	4.565	10	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.8110	0.000	1	118.8110	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]N)	118.2020	0.000	1	118.6978	1.626	27	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.3460	0.212	2	118.6978	1.626	27	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.7477	1.346	24	118.6978	1.626	27	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	119.3208	0.249	5	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.0904	0.709	40	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]N)	119.4523	0.079	3	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	119.1114	0.180	11	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]N)	118.8960	0.000	1	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.3370	2.213	59	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	118.6070	0.000	1	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	119.1420	0.000	1	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.1577	0.235	3	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N)	117.8833	1.699	3	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	119.5164	2.221	5	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.2227	0.429	4	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.7786	0.951	127	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]N)	119.1940	0.000	1	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	118.4976	0.856	34	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.5442	1.407	186	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	H(CC[6a]N)	119.2747	0.250	6	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	118.8326	1.507	25	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.9341	1.085	24	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	114.6310	0.000	1	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|O<2>,2|C<3>}	H(CC[6a]N)	118.7891	0.378	10	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]N)	119.8870	0.000	1	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	119.0917	0.246	12	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	118.7748	1.308	16	118.7011	1.732	579	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.2447	0.536	6	118.2447	0.287	6	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.9057	0.610	4	118.9057	0.372	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	H(CC[6a]N)	118.6894	1.070	9	118.6894	1.144	9	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.8360	0.000	1	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.0645	0.067	6	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	118.9103	0.671	11	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.2583	1.901	19	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	118.4317	1.472	3	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	118.8139	0.471	10	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.0712	1.464	205	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	118.0744	1.291	8	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.2243	0.980	3	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.6376	0.639	14	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	H(CC[6a]N)	119.1171	0.629	18	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	H(CC[6a]N)	119.0302	0.456	6	118.2094	1.968	304	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.6805	1.170	12	118.6805	1.369	12	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.8950	0.100	2	117.8950	0.010	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.2930	0.000	1	119.2930	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.9575	1.237	2	117.9575	1.530	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.9783	1.840	3	119.9783	3.387	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.2940	0.246	2	118.2940	0.061	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCo)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCo)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.7590	0.000	1	117.7590	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMo)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMo)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.9573	0.313	3	117.9573	0.098	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.4633	1.493	12	118.4633	2.229	12	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.2560	0.561	3	119.2560	0.315	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	H(CC[6a]N)	120.2590	0.471	3	120.2590	0.221	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.3925	0.504	2	119.3925	0.254	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN){2|C<3>}	H(CC[6a]N)	119.4903	0.301	4	119.4903	0.091	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN){2|C<3>}	H(CC[6a]N)	118.9819	1.831	9	118.9819	3.353	9	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CHN){2|C<3>}	H(CC[6a]N)	119.7360	0.000	1	119.7360	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	116.3810	3.072	2	116.3810	9.435	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	H(CC[6a]N)	120.2820	0.151	3	120.2820	0.023	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[5])2(CHN){1|C<3>,2|H<1>,4|O<2>}	H(CC[6a]N)	120.2930	0.000	1	120.2930	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	H(CC[6a]N)	120.2620	0.000	1	120.2620	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.7240	0.597	2	120.0700	0.146	10	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.1565	0.307	8	120.0700	0.146	10	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.7580	0.400	2	119.7481	0.543	21	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.8523	0.689	19	119.7481	0.543	21	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.8520	0.000	1	119.7415	0.454	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.6720	0.000	1	119.7415	0.454	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N)	120.2210	0.325	2	119.7415	0.454	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.6910	0.000	1	119.6910	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	120.0715	0.432	8	119.9509	0.391	93	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	120.0975	0.279	2	119.9509	0.391	93	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.9217	0.650	81	119.9509	0.391	93	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	120.5065	0.168	2	119.9509	0.391	93	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3431	1.143	12	118.3431	1.306	12	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.4500	0.450	3	119.8469	0.282	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.8825	0.508	13	119.8469	0.282	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	120.5760	0.000	1	119.8469	0.282	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	119.8453	0.727	7	119.7463	0.531	8	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.0530	0.000	1	119.7463	0.531	8	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.5547	0.161	4	119.5547	0.026	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	120.5285	0.599	10	120.6408	0.437	45	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.6465	0.674	34	120.6408	0.437	45	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	121.5700	0.000	1	120.6408	0.437	45	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.5529	0.547	40	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|N<3>}	H(CC[6a]N)	119.3355	0.227	4	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]N)	119.3280	0.483	5	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	120.1986	0.620	14	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	119.3871	0.483	11	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]N)	119.1780	0.000	1	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.9480	0.253	2	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N)	119.8880	0.320	3	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.5550	0.785	11	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.3901	0.696	120	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]N)	119.9230	0.148	2	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	119.4553	0.618	7	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	120.2560	0.000	1	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.3249	0.873	225	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	H(CC[6a]N)	120.1713	0.450	19	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	119.0515	0.733	4	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.4648	1.127	44	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|O<2>}	H(CC[6a]N)	120.0140	0.000	1	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	120.0834	0.546	19	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	120.1170	0.432	20	119.4883	0.665	553	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.6886	1.652	11	118.6886	2.731	11	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.6053	0.635	6	119.6053	0.403	6	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	H(CC[6a]N)	119.6010	0.733	24	119.6010	0.537	24	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.1169	0.542	9	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N)	120.2018	0.557	4	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	119.4079	0.536	11	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	118.7930	1.438	9	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N)	119.5260	0.559	2	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	119.5100	0.000	1	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.3285	0.742	32	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.0095	0.701	149	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	119.0237	0.727	3	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.0916	0.910	487	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	119.3910	0.721	20	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.5995	1.207	13	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.0770	0.000	1	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	H(CC[6a]N)	119.2138	1.762	54	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	H(CC[6a]N)	120.0813	0.285	3	119.1205	0.914	798	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]N)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.2623	0.707	10	121.2623	0.500	10	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.6525	0.473	2	119.1933	0.484	9	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]O)2(CHN){3|C<3>}	H(CC[6a]N)	119.3479	0.695	7	119.1933	0.484	9	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>}	H(CC[6a]N)	118.4730	0.000	1	118.4730	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.6740	0.000	1	119.6740	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHN){2|C<3>}	H(CC[6a]N)	118.3650	0.000	1	118.3650	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>,2|O<2>}	H(CC[6a]N)	120.1420	0.000	1	120.1420	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.7510	0.000	1	120.7510	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.4417	0.806	4	120.4417	0.649	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.3727	0.648	8	119.6333	3.963	18	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.0417	2.507	10	119.6333	3.963	18	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.2140	0.000	1	119.2140	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.5875	0.722	2	119.5875	0.521	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.0900	0.098	2	119.0900	0.010	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.2495	0.479	2	121.2495	0.229	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	119.4445	0.224	2	119.7282	0.447	25	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.8859	0.400	7	119.7282	0.447	25	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.7360	0.000	1	119.7282	0.447	25	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.9503	0.293	9	119.7282	0.447	25	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.0102	1.416	4	119.7282	0.447	25	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	119.8920	0.354	2	119.7282	0.447	25	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	120.7687	0.833	3	119.9061	0.425	76	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.6423	0.593	9	119.9061	0.425	76	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.8643	0.614	61	119.9061	0.425	76	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	120.8795	0.146	2	119.9061	0.425	76	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	H(CC[6a]N)	120.2950	0.000	1	119.9061	0.425	76	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHN){2|C<3>}	H(CC[6a]N)	119.8460	0.000	1	119.8460	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.2110	0.000	1	119.2110	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.8585	0.784	2	120.8585	0.615	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.2230	0.000	1	119.6630	0.138	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.6010	0.000	1	119.6630	0.138	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	120.1740	0.052	2	119.6630	0.138	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.4897	0.092	3	119.6630	0.138	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	120.0130	0.000	1	119.4789	0.997	26	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.4280	0.000	1	119.4789	0.997	26	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.6675	0.729	4	119.4789	0.997	26	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.4975	1.063	19	119.4789	0.997	26	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	117.8870	0.000	1	119.4789	0.997	26	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(CHN){1|O<2>,2|C<3>}	H(CC[6a]N)	119.5130	0.157	2	119.5130	0.025	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CHN){1|O<2>,2|C<3>}	H(CC[6a]N)	118.0760	0.000	1	118.0760	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.5550	0.000	1	120.5550	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.0320	0.000	1	120.0320	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.3625	0.457	2	120.3625	0.209	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	119.3690	0.000	1	119.9211	0.113	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	120.2190	0.000	1	119.9211	0.113	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.9865	0.297	4	119.9211	0.113	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	119.9140	0.000	1	119.9211	0.113	7	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	H(CC[6a]N)	120.1720	0.354	2	120.1720	0.125	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	122.6860	0.000	1	119.6136	1.973	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.9760	0.000	1	119.6136	1.973	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.4330	0.000	1	119.6136	1.973	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.6140	0.000	1	119.6136	1.973	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.3020	1.370	2	119.6136	1.973	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.6119	1.259	8	119.6136	1.973	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.6035	1.015	2	119.6136	1.973	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	H(CC[6a]N)	121.0160	0.000	1	119.6136	1.973	17	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[6a])(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.5577	1.932	3	117.5577	3.731	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.8950	0.000	1	117.8950	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CHN){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N)	119.4400	0.000	1	119.4400	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.5630	0.404	2	119.5630	0.164	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.3457	0.459	3	119.3457	0.211	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8435	0.463	2	115.8435	0.215	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	121.6850	0.000	1	120.2790	0.931	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.8020	0.396	2	120.2790	0.931	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.8270	0.000	1	120.2790	0.931	4	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.7260	0.000	1	119.7260	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	119.1280	0.000	1	119.1280	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3070	0.000	1	118.3070	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.9125	0.754	6	119.9125	0.569	6	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.2870	0.037	2	119.2870	0.001	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	119.2629	0.328	15	119.2629	0.108	15	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.9380	0.000	1	120.9380	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	119.7857	0.303	4	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.7420	0.437	2	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.9012	0.888	18	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	119.3150	0.079	2	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	119.5850	0.000	1	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	119.7080	1.517	2	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.5400	0.719	29	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	119.4885	0.064	2	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.0847	0.653	33	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	119.4260	0.270	4	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	119.6900	0.388	4	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.2533	0.558	7	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.1790	0.000	1	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	118.9090	0.000	1	119.2840	0.510	110	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	119.6887	0.602	6	119.6887	0.362	6	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	H(CC[6a]N)	119.3760	0.000	1	119.3760	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	119.6050	0.000	1	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.2420	0.000	1	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.2443	0.794	3	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.9726	0.415	14	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.3028	0.792	23	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	118.6670	0.000	1	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.1128	1.815	5	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|N<2>,2|H<1>}	H(CC[6a]N)	120.2580	0.569	2	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]H)2(CHN){3|C<3>}	H(CC[6a]N)	119.1197	0.697	3	119.0994	0.803	53	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	120.2600	0.000	1	120.2600	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.7348	0.631	5	118.4878	1.348	8	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]C[6a]O)2(CHN){3|C<3>}	H(CC[6a]N)	119.7427	0.379	3	118.4878	1.348	8	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.5310	0.000	1	117.7033	3.405	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.5890	0.000	1	117.7033	3.405	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>}	H(CC[6a]N)	118.9900	0.000	1	117.7033	3.405	3	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.0880	0.000	1	118.0880	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.9950	0.000	1	118.9950	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|H<1>,4|C<3>}	H(CC[6a]N)	119.2935	0.544	2	119.2935	0.296	2	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.6090	0.221	5	118.6090	0.049	5	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NW)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NW)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.1610	0.000	1	116.1610	0.000	1	118.9794	1.500	4274	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.5560	0.000	1	116.5560	0.000	1	116.5560	0.000	1	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHO){2|H<1>,5|C<3>}	H(CC[6a]O)	125.9310	0.000	1	125.9310	0.000	1	125.9310	0.000	1	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OCo)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OCo)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	115.7470	0.000	1	115.7470	0.000	1	114.6285	11.810	4	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OCu)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OCu)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	115.5330	0.000	1	115.5330	0.000	1	114.6285	11.810	4	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OFe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OFe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	H(CC[6a]O)	117.5740	0.000	1	117.5740	0.000	1	114.6285	11.810	4	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]O)	109.6600	0.000	1	109.6600	0.000	1	114.6285	11.810	4	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OAl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OAl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.0845	0.700	4	117.0845	0.490	4	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OB)(H)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OB)(H)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	119.5540	1.034	2	119.5540	1.069	2	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OBa)(H)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OBa)(H)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.5930	0.000	1	117.5930	0.000	1	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>}	H(CC[6a]O)	98.4531	0.000	1	98.4531	0.000	1	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	110.5190	0.000	1	110.5190	0.000	1	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	125.6400	0.000	1	125.6400	0.000	1	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	114.6915	0.620	2	114.6915	0.385	2	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	116.0990	0.000	1	115.9004	0.197	21	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]O)	116.5870	0.000	1	115.9004	0.197	21	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	115.8138	0.207	6	115.9004	0.197	21	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	115.8490	0.221	5	115.9004	0.197	21	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	115.5520	0.274	4	115.9004	0.197	21	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,2|C<3>}	H(CC[6a]O)	115.0540	0.000	1	115.9004	0.197	21	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Cl<1>,1|C<3>}	H(CC[6a]O)	116.6107	0.124	3	115.9004	0.197	21	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	115.9450	0.171	2	115.9450	0.029	2	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	116.2280	0.000	1	116.0356	0.168	8	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	115.5480	0.133	2	116.0356	0.168	8	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	116.2350	0.402	4	116.0356	0.168	8	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OCu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OCu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]O)	116.0210	0.000	1	116.0356	0.168	8	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	116.1210	0.151	4	116.1513	0.016	6	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	116.2120	0.028	2	116.1513	0.016	6	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OFe)(H)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OFe)(H)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	118.3023	0.249	4	118.3023	0.062	4	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(H)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(H)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	118.3290	0.000	1	118.3290	0.000	1	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OIr)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OIr)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	118.6040	0.000	1	118.6040	0.000	1	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OMn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OMn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Cl<1>,1|C<3>}	H(CC[6a]O)	115.7705	0.127	2	115.7705	0.016	2	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]O)	115.7060	0.277	9	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]O)	115.6657	0.147	3	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]O)	115.7470	0.023	2	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]O)	116.2540	0.000	1	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>}	H(CC[6a]O)	115.3855	0.500	2	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	115.5987	0.252	7	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<4>,2|C<3>}	H(CC[6a]O)	115.5547	0.444	4	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|Cl<1>,2|C<3>}	H(CC[6a]O)	125.3023	0.154	3	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|F<1>,2|C<3>}	H(CC[6a]O)	115.9850	0.464	2	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Cl<1>,1|C<3>}	H(CC[6a]O)	116.0688	0.325	6	116.4762	6.775	39	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ONi)(H)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	116.9645	0.213	2	116.9645	0.045	2	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OPd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OPd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	115.4995	0.083	2	115.4995	0.007	2	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ORe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	112.4680	0.000	1	112.4680	0.000	1	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(ORu)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(ORu)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	117.2120	0.000	1	117.2120	0.000	1	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Br<1>,1|C<3>}	H(CC[6a]O)	115.5890	0.074	2	115.7375	0.031	4	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OZn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OZn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHO){2|Cl<1>,1|C<3>}	H(CC[6a]O)	115.8860	0.008	2	115.7375	0.031	4	116.2437	7.483	106	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:P-2:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHP)	H(CC[6a]P)	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHP){1|H<1>,3|C<3>}	H(CC[6a]P)	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:P-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHP)	H(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHP){1|C<3>,2|H<1>}	H(CC[6a]P)	118.8530	0.000	1	118.8530	0.000	1	116.7826	7.744	5	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:P-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHP)	H(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a])(H)	C[6a](C[6a]C[6a]H)2(CHP){1|C<3>,2|H<1>}	H(CC[6a]P)	116.2650	2.922	4	116.2650	8.539	4	116.7826	7.744	5	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CHS)	H(CC[6a]S)	C(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CHS){1|C<3>,2|H<1>}	H(CC[6a]S)	121.0580	0.311	2	121.0580	0.097	2	121.0580	0.097	2	118.8926	1.934	4704	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:C-3:	C-3:	C(C[6a]N[6a]2)(CC[6a]H)(H)	C[6a](N[6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]N[6a]2)(CC[6a]H)(H)	C[6a](N[6a]C[6a])2(CCH){1|N<2>,2|C<4>}	H(CC[6a]C)	118.1410	0.000	1	118.1410	0.000	1	118.1410	0.000	1	117.5343	0.459	4	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:O[6a]-2:C-3:	C-3:	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	H(CC[6a]C)	117.2640	0.000	1	117.2640	0.000	1	117.3320	0.443	3	117.5343	0.459	4	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:O[6a]-2:C-3:	C-3:	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	H(CC[6a]C)	117.3660	0.938	2	117.3660	0.879	2	117.3320	0.443	3	117.5343	0.459	4	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	114.4800	0.000	1	114.4800	0.000	1	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	117.7417	0.237	3	117.7417	0.056	3	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH){2|C<3>}	H(CC[6a]C)	118.8530	0.372	2	118.8530	0.138	2	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	113.7690	0.000	1	113.7690	0.000	1	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	117.3140	0.000	1	117.3140	0.000	1	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){3|C<3>}	H(CC[6a]C)	118.1120	0.000	1	118.1120	0.000	1	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]C)	116.9720	0.000	1	117.1244	1.300	32	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	117.3610	0.000	1	117.1244	1.300	32	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.1216	1.178	30	117.1244	1.300	32	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	117.7070	0.000	1	117.7070	0.000	1	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	117.8590	0.380	2	117.8590	0.145	2	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.4265	0.691	2	116.4265	0.477	2	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.5370	0.324	2	116.5370	0.105	2	117.1237	1.505	48	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:H-1:	O[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]O[6a])(CCH)(H)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]O[6a])(CCH)(H)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]O)(CCH){1|O<1>,2|C<3>}	H(CC[6a]C)	116.9710	0.891	2	116.9710	0.794	2	116.9710	0.794	2	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[5]-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H){1|H<1>,2|C<3>}	H(CC[6a]C[5])	115.0875	0.438	2	115.0875	0.192	2	115.0875	0.192	2	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:N-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6]Ni)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6]Ni)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.2643	0.202	4	116.2643	0.041	4	116.2643	0.041	4	116.9841	1.492	56	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH){1|N<2>,3|C<3>}	H(CC[6a]C)	118.7030	0.000	1	118.7030	0.000	1	118.7030	0.000	1	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	119.5990	0.000	1	119.5990	0.000	1	119.5990	0.000	1	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.9985	0.452	4	116.9985	0.204	4	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.1915	0.504	2	117.1915	0.254	2	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2955	4.195	4	116.5805	6.432	11	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	117.3149	0.438	7	116.5805	6.432	11	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C)	115.3700	0.636	2	115.4657	0.148	4	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	115.5615	0.030	2	115.4657	0.148	4	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	115.4940	1.720	2	115.4940	2.957	2	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	114.9645	0.846	2	114.9645	0.716	2	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.3490	3.302	2	115.3490	10.904	2	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.8290	0.000	1	117.4050	0.664	2	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|N<3>,2|C<3>}	H(CC[6a]C)	117.9810	0.000	1	117.4050	0.664	2	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.1850	1.922	2	117.0012	1.861	58	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|N<2>,1|S<2>}	H(CC[6a]C)	118.1200	0.488	6	117.0012	1.861	58	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7934	1.391	44	117.0012	1.861	58	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.1110	0.000	1	117.0012	1.861	58	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|C<3>}	H(CC[6a]C)	118.0870	0.000	1	117.0012	1.861	58	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){2|Cl<1>,1|N<2>}	H(CC[6a]C)	117.7188	1.156	4	117.0012	1.861	58	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	117.4060	0.000	1	117.4060	0.000	1	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH){1|N<2>,3|C<3>}	H(CC[6a]C)	117.8650	0.000	1	117.8650	0.000	1	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|C<4>}	H(CC[6a]C)	118.2260	0.000	1	117.9157	0.084	3	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){2|C<3>}	H(CC[6a]C)	117.7605	0.155	2	117.9157	0.084	3	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	117.9810	0.307	4	117.9810	0.094	4	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CFN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CFN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.7530	0.000	1	115.7530	0.000	1	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	119.0470	0.000	1	119.0470	0.000	1	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	119.6360	0.000	1	119.6360	0.000	1	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH){4|C<3>}	H(CC[6a]C)	119.7030	0.000	1	119.7030	0.000	1	116.9420	2.468	100	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]C)	117.3870	0.000	1	117.4273	0.180	4	117.4273	0.180	4	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH){1|C<3>,1|O<1>,1|S<2>}	H(CC[6a]C)	117.9150	0.000	1	117.4273	0.180	4	117.4273	0.180	4	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:O[6a]-2:C-3:	C-3:	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	H(CC[6a]C)	117.2035	0.448	2	117.4273	0.180	4	117.4273	0.180	4	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N[6a,6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	H(CC[6a]C)	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5,5]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5,5]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.6860	0.000	1	116.6860	0.000	1	115.7165	0.684	14	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5,6]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5,6]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.7840	0.000	1	114.7840	0.000	1	115.7165	0.684	14	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.4110	0.572	4	115.4110	0.327	4	115.7165	0.684	14	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.7577	0.675	4	115.7577	0.455	4	115.7165	0.684	14	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	114.9440	0.000	1	114.9690	0.001	2	115.7165	0.684	14	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.9940	0.000	1	114.9690	0.001	2	115.7165	0.684	14	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	117.1720	0.000	1	117.1720	0.000	1	115.7165	0.684	14	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.7760	0.000	1	116.7760	0.000	1	115.7165	0.684	14	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6])	116.4380	0.000	1	116.4380	0.000	1	116.4380	0.000	1	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5]In[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]H)	H(CC[6a]N[5])	C(C[6a]C[6a]N[6a])(N[5]In[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]H){1|C<3>,2|H<1>}	H(CC[6a]N[5])	120.7690	0.000	1	120.7690	0.000	1	120.7690	0.000	1	116.8820	2.462	123	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	117.0395	0.131	2	117.0395	0.017	2	117.0395	0.017	2	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.2612	0.428	4	114.2612	0.183	4	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2440	0.000	1	115.2440	0.000	1	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1630	0.000	1	116.1630	0.000	1	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	122.9650	0.000	1	122.9650	0.000	1	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.5020	0.000	1	115.5020	0.000	1	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1055	0.151	2	115.1055	0.023	2	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1641	0.622	9	115.1641	0.387	9	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.8000	0.000	1	115.8000	0.000	1	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.4888	0.275	5	115.4888	0.076	5	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.3580	0.000	1	115.3580	0.000	1	115.4696	2.710	26	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H)	H(CC[6a]C[3])	C(C[3]C[3,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H){1|C<3>,2|H<1>}	H(CC[6a]C[3])	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	H(CC[6a]C[4])	C(C[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	H(CC[6a]C[4])	115.6865	0.114	2	115.6865	0.013	2	115.4106	1.158	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4,5]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	H(CC[6a]C[4])	C(C[4]C[4,5]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	H(CC[6a]C[4])	114.5270	0.000	1	114.5270	0.000	1	115.4106	1.158	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4,6]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	H(CC[6a]C[4])	C(C[4]C[4,6]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	H(CC[6a]C[4])	113.6600	0.000	1	113.6600	0.000	1	115.4106	1.158	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4]N[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	H(CC[6a]C[4])	C(C[4]C[4]N[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	H(CC[6a]C[4])	115.1197	1.603	3	115.1197	2.571	3	115.4106	1.158	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4]S[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	H(CC[6a]C[4])	C(C[4]C[4]S[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	H(CC[6a]C[4])	117.0990	0.000	1	117.0990	0.000	1	115.4106	1.158	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[4]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]Ge[4,4]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	H(CC[6a]C[4])	C(C[4]Ge[4,4]C[4])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	H(CC[6a]C[4])	115.7272	0.160	4	115.7272	0.026	4	115.4106	1.158	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5,6]H)	H(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5,6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[5,6]C[6a])	114.7340	0.000	1	114.7340	0.000	1	115.9311	0.245	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5,6]H)	H(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5,6]H){1|H<1>,2|C<3>}	H(CC[5,6]C[6a])	116.2210	0.000	1	116.2210	0.000	1	115.9311	0.245	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5,6]H)	H(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5,6]H){1|C<3>,2|F<1>}	H(CC[5,6]C[6a])	116.1658	0.203	4	116.1658	0.041	4	115.9311	0.245	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H)	H(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H){1|C<3>,2|H<1>}	H(CC[5,6]C[6a])	115.9820	0.429	5	115.9820	0.184	5	115.9311	0.245	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H)	H(CC[5,6]C[6a])	C(C[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H){1|C<3>,2|C<4>}	H(CC[5,6]C[6a])	115.6450	0.000	1	115.6450	0.000	1	115.9311	0.245	12	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]B[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]B[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.2995	0.697	2	115.2995	0.485	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.1170	0.000	1	116.1170	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.1410	0.000	1	114.1410	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.5350	0.245	3	114.5350	0.060	3	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.6260	0.000	1	115.6260	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	117.3550	0.000	1	117.3550	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.3098	1.222	12	115.3098	1.493	12	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.9530	0.000	1	114.9530	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.2040	0.000	1	116.2040	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.1190	0.885	2	114.1190	0.784	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.9210	0.000	1	115.3156	0.544	16	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5])	114.2790	0.000	1	115.3156	0.544	16	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	115.1270	1.588	2	115.3156	0.544	16	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.4663	0.608	12	115.3156	0.544	16	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5]H){1|H<1>,2|C<3>}	H(CC[6a]C[5])	114.7500	0.000	1	114.7500	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.8587	0.804	3	116.8587	0.646	3	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.2380	0.000	1	115.2380	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	H(CC[6a]C[5])	115.9030	0.385	2	115.9030	0.148	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5]H){1|C<3>,2|F<1>}	H(CC[6a]C[5])	115.0330	0.000	1	115.0330	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H){1|C<3>,1|H<1>}	H(CC[6a]C[5])	115.4075	0.900	2	115.4075	0.810	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.6890	0.951	8	115.7653	0.843	9	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|N<2>,2|H<1>}	H(CC[6a]C[5])	116.3760	0.000	1	115.7653	0.843	9	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	112.6995	0.214	2	112.6995	0.046	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.7035	0.339	2	116.7035	0.115	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.1260	0.000	1	115.1260	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.1520	0.000	1	114.1520	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.7385	0.769	4	115.7385	0.591	4	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.5733	0.394	6	115.5733	0.155	6	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.6820	0.000	1	115.6820	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.9133	1.008	30	114.9133	1.016	30	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	116.8210	0.000	1	116.8210	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.4100	0.000	1	114.4100	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.9480	0.000	1	115.1260	1.110	25	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	117.0810	0.000	1	115.1260	1.110	25	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.0487	1.014	23	115.1260	1.110	25	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.0474	0.805	5	115.0474	0.648	5	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.7430	0.000	1	114.7430	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(CC[5]H){1|C<3>,2|C<4>}	H(CC[6a]C[5])	113.6115	1.555	2	113.6115	2.418	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]H){2|C<3>}	H(CC[6a]C[5])	114.1690	0.000	1	114.1690	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.4940	0.000	1	115.5446	0.840	5	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5])	115.1525	0.033	2	115.5446	0.840	5	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.4620	0.515	2	115.5446	0.840	5	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.0855	0.349	2	115.0855	0.122	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	111.6620	0.000	1	111.6620	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	113.7780	0.000	2	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	113.7850	0.000	3	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	113.8920	0.000	1	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[5])	113.8330	0.000	1	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5])	113.8990	0.000	2	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.3031	1.142	8	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	113.8012	0.931	12	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|I<1>}	H(CC[6a]C[5])	115.0570	1.278	2	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	112.8560	0.000	1	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|H<1>,2|C<3>}	H(CC[6a]C[5])	114.0680	0.000	1	113.9852	0.792	33	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	114.9315	0.530	2	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<2>,1|C<3>,1|N<3>}	H(CC[6a]C[5])	115.4680	0.000	1	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.5040	0.000	1	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[5])	114.6410	0.000	1	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]C[5])	114.7210	0.000	1	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5])	114.9413	0.441	7	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	115.5933	1.591	6	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.1213	1.061	60	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	H(CC[6a]C[5])	115.4808	0.230	6	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	114.6675	0.414	2	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|N<2>,2|H<1>}	H(CC[6a]C[5])	115.1880	0.000	1	115.1368	0.974	88	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.5080	0.000	1	114.5080	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.5865	0.261	2	114.5865	0.068	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.3168	1.227	26	115.3168	1.504	26	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.0810	0.899	2	114.0810	0.809	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	113.8880	0.000	1	113.8880	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]H){2|C<3>}	H(CC[6a]C[5])	113.7810	1.097	2	113.7810	1.204	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.5450	0.000	1	116.5450	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.7530	0.000	1	115.6795	1.717	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	116.6060	0.000	1	115.6795	1.717	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.8230	0.000	1	114.8230	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.9430	0.000	1	115.9430	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H){1|C<3>,2|C<4>}	H(CC[6a]C[5])	116.0990	0.000	1	116.8732	0.560	6	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	117.0280	0.721	5	116.8732	0.560	6	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.5030	0.879	4	115.5030	0.772	4	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.7460	0.000	1	114.7460	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	111.6780	0.000	1	114.3144	1.478	7	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	115.1510	0.290	2	114.3144	1.478	7	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.5553	0.257	4	114.3144	1.478	7	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.9280	0.000	1	114.5142	0.221	25	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5])	114.5410	0.000	1	114.5142	0.221	25	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.4490	0.000	1	114.5142	0.221	25	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.4458	0.477	20	114.5142	0.221	25	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	H(CC[6a]C[5])	115.0105	0.460	2	114.5142	0.221	25	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	111.5720	0.000	1	111.5720	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.4727	0.372	3	114.4727	0.139	3	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	113.4610	0.000	1	113.4610	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.3405	0.206	2	115.3405	0.042	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.0065	0.288	2	115.0065	0.083	2	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[5]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.3560	0.000	1	115.3560	0.000	1	115.0079	1.224	364	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	116.5540	4.233	4	116.5540	17.915	4	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	114.9325	1.680	4	114.9325	2.823	4	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	114.6780	0.639	10	114.6780	0.408	10	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	113.9968	0.269	4	113.9968	0.072	4	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Pd)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Pd)(CC[5a]H){3|C<3>}	H(CC[5a]C[6a])	115.7340	0.000	1	115.7340	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	112.4900	0.000	1	112.4900	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	114.2742	0.591	5	114.2742	0.349	5	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	117.6030	0.147	2	117.6030	0.022	2	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	114.5910	0.000	1	114.5910	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	115.0840	0.397	3	115.0840	0.158	3	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a])	114.7670	0.000	1	114.7670	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[5a]H){1|H<1>,2|C<3>}	H(CC[5a]C[6a])	114.0760	0.000	1	114.0760	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	115.1010	0.000	1	115.1010	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	114.4350	0.453	2	114.4350	0.205	2	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	114.4317	0.397	3	114.4317	0.158	3	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	115.4060	0.431	6	115.4060	0.186	6	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[5a]C[6a])	116.5030	0.000	1	116.5030	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a])	114.4420	0.000	1	114.6110	0.056	5	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	114.7280	0.244	3	114.6110	0.056	5	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){2|Br<1>,1|C<3>}	H(CC[5a]C[6a])	114.4290	0.000	1	114.6110	0.056	5	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a])	114.7570	0.000	1	114.5667	0.255	39	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a])	114.0660	0.713	3	114.5667	0.255	39	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	114.6107	0.501	31	114.5667	0.255	39	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|O<2>}	H(CC[5a]C[6a])	114.4253	0.246	3	114.5667	0.255	39	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a])	114.9380	0.000	1	114.5667	0.255	39	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(CC[5a]C[6a])	115.9900	0.000	1	115.9900	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	111.2180	0.000	1	111.2180	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	118.1190	0.000	1	118.1190	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a])	111.3390	0.000	1	111.3390	0.000	1	114.7574	1.687	98	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H){1|C<3>,1|H<1>,1|O<1>}	H(CC[5a]C[6a])	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,2|H<1>}	H(CC[6,6]C[6a])	114.8694	0.619	5	114.8694	0.383	5	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	H(CC[6,6]C[6a])	114.4940	0.000	1	114.4940	0.000	1	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6,6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6,6]C[6a])	114.2470	0.000	1	114.2470	0.000	1	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]H){1|C<3>,2|H<1>}	H(CC[6,6]C[6a])	116.2370	0.000	1	116.2370	0.000	1	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	H(CC[6,6]C[6a])	117.5700	0.000	1	117.5700	0.000	1	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	H(CC[6,6]C[6a])	115.0910	0.387	2	115.0910	0.150	2	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6,6]C[6a])	115.7010	0.000	1	114.9891	0.173	7	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6,6]C[6a])	114.8073	0.136	3	114.9891	0.173	7	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	H(CC[6,6]C[6a])	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,2|H<1>}	H(CC[6,6]C[6a])	114.9337	0.439	3	114.9891	0.173	7	115.1112	0.680	18	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.3846	2.045	5	114.3846	4.182	5	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.4130	0.462	3	115.4130	0.214	3	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	117.2560	0.000	1	117.2560	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.5465	1.357	6	115.5465	1.840	6	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.6106	0.677	5	115.6106	0.458	5	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6])	115.6760	0.000	1	115.6760	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.5658	0.743	5	115.7033	0.555	6	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|N<2>,2|H<1>}	H(CC[6a]C[6])	116.3910	0.000	1	115.7033	0.555	6	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){1|H<1>,4|C<3>}	H(CC[6a]C[6])	115.3440	0.225	2	115.3440	0.051	2	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.6090	0.000	1	115.6090	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[6])	114.6805	0.329	2	114.0798	0.366	8	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6])	114.1750	0.042	2	114.0798	0.366	8	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]C[6])	113.2390	0.000	1	114.0798	0.366	8	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	113.8960	0.672	3	114.0798	0.366	8	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.3640	0.000	1	115.3640	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.9140	0.000	1	115.9140	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.1528	1.087	9	115.1869	1.061	10	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|O<2>}	H(CC[6a]C[6])	115.4940	0.000	1	115.1869	1.061	10	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.4070	0.522	2	114.4070	0.272	2	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.7230	1.356	4	115.7230	1.839	4	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	116.0580	0.000	1	116.0580	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	113.2260	2.562	3	113.2260	6.563	3	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H){1|C<3>,1|H<1>}	H(CC[6a]C[6])	115.0700	0.000	1	115.0700	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.1659	1.316	11	115.2144	1.603	12	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6])	115.7480	0.000	1	115.2144	1.603	12	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6]H){1|H<1>,2|C<3>}	H(CC[6a]C[6])	116.2505	0.715	2	116.2505	0.511	2	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.9100	0.000	1	114.9100	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.5142	1.770	11	115.5142	3.132	11	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.2692	1.287	5	115.2692	1.656	5	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.6172	1.010	12	114.6172	1.020	12	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.0980	0.539	2	114.0980	0.290	2	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	116.3010	0.000	1	116.3010	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[6])	113.8770	0.000	1	114.5502	2.131	5	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.7185	1.629	4	114.5502	2.131	5	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]Se[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6]Se[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	116.7230	0.000	1	116.7230	0.000	1	115.1115	1.691	113	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]2)(CHN)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]2)(CHN)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6a]C)	117.2330	0.000	1	117.2330	0.000	1	117.2330	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6a]C)	114.8510	0.000	1	114.8510	0.000	1	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]C)	116.9230	0.000	1	116.9230	0.000	1	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]C)	116.3460	0.000	1	117.1875	1.416	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]C)	118.0290	0.000	1	117.1875	1.416	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]C)	116.4300	0.000	1	116.4300	0.000	1	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[6a]C)	116.1510	0.175	2	116.1510	0.031	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6a]C)	115.2265	0.231	2	115.2265	0.053	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(CC[6a]C)	116.5130	0.000	1	116.4150	0.019	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]C)	116.3170	0.000	1	116.4150	0.019	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]C)	116.1910	0.000	1	116.1910	0.000	1	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){1|C<3>,1|S<2>,2|C<4>,2|F<1>}	H(CC[6a]C)	116.5650	0.000	1	116.5650	0.000	1	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(CC[6a]C)	114.8840	0.000	1	114.8840	0.000	1	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.5710	0.129	2	115.5710	0.017	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){1|C<3>,1|S<2>,2|C<4>,2|F<1>}	H(CC[6a]C)	116.8400	0.000	1	117.4315	0.700	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){2|C<3>,2|C<4>,2|F<1>}	H(CC[6a]C)	118.0230	0.000	1	117.4315	0.700	2	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]C)	116.6170	0.000	1	116.5914	0.562	5	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C)	116.5850	0.865	4	116.5914	0.562	5	116.2942	0.776	23	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(CC[6a]C)	115.7280	0.000	2	115.7280	0.000	2	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]C)	114.8980	0.000	1	115.7710	1.524	2	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]C)	116.6440	0.000	1	115.7710	1.524	2	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	115.8290	0.000	1	115.8290	0.000	1	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(CC[6a]C)	114.6793	0.629	3	114.6793	0.395	3	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	H(CC[6a]C)	118.6035	1.013	2	118.6035	1.027	2	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(CC[6a]C)	115.9185	0.076	2	116.1195	0.962	11	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(CC[6a]C)	116.1176	1.157	8	116.1195	0.962	11	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){2|C<4>,3|C<3>}	H(CC[6a]C)	116.5360	0.000	1	116.1195	0.962	11	116.0660	1.605	21	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	H(CC[6a]C)	117.3080	0.000	1	117.3080	0.000	1	115.5727	3.457	7	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]B[6,6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]B[6,6])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]C)	113.6550	0.170	3	113.6550	0.029	3	115.5727	3.457	7	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(CRuH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CRuH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]C)	116.9120	0.793	3	116.9120	0.628	3	115.5727	3.457	7	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CCH){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	H(CC[6a]C)	117.2810	0.000	1	117.2810	0.000	1	117.5975	0.240	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(CC[6a]C)	118.3240	0.000	1	118.3240	0.000	1	117.5975	0.240	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(CHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(CC[6a]C)	117.3925	0.081	2	117.3925	0.007	2	117.5975	0.240	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){1|N<2>,2|H<1>,4|C<3>}	H(CC[6a]C)	116.6620	0.281	2	116.5977	0.744	10	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.5816	0.972	8	116.5977	0.744	10	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.8520	0.000	1	116.8520	0.000	1	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.6894	0.989	28	116.6894	0.978	28	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[3]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[3]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	117.4350	0.000	1	117.4350	0.000	1	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.1360	0.000	1	116.1360	0.000	1	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	117.4230	0.000	1	117.4230	0.000	1	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.9268	0.816	5	116.9268	0.666	5	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.7934	0.417	7	116.7934	0.174	7	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	117.1417	0.463	3	117.1417	0.215	3	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){1|H<1>,2|N<2>,4|C<3>}	H(CC[6a]C)	117.5680	0.000	1	117.1639	0.740	56	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){1|N<2>,2|H<1>,4|C<3>}	H(CC[6a]C)	117.9460	0.051	3	117.1639	0.740	56	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	117.1110	0.869	52	117.1639	0.740	56	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	115.9960	0.847	3	115.9960	0.717	3	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.3933	1.312	6	116.3933	1.720	6	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CRuH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CRuH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	115.8470	1.214	3	115.8470	1.473	3	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.8740	0.000	1	116.8740	0.000	1	116.8784	0.845	126	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	115.1380	0.000	1	115.1380	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C)	116.6167	1.127	3	116.6167	1.270	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C)	116.3100	0.000	1	116.3100	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C)	115.4978	3.382	14	116.1363	8.211	22	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C)	117.9477	1.394	3	116.1363	8.211	22	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	116.3695	0.155	2	116.1363	8.211	22	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.1490	0.740	3	116.1363	8.211	22	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	116.9160	0.000	1	116.9160	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.2742	0.633	9	116.2742	0.400	9	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	117.5410	0.000	1	117.5410	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C)	116.6810	0.000	1	116.8303	1.577	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	115.6560	0.000	1	116.8303	1.577	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	118.1540	0.000	1	116.8303	1.577	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C)	118.8280	0.000	1	117.1093	0.574	14	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C)	117.2660	0.000	1	117.1093	0.574	14	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	117.4620	0.000	1	117.1093	0.574	14	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.9067	0.626	11	117.1093	0.574	14	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	114.3795	0.278	2	114.3795	0.077	2	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCH){1|H<1>,3|C<3>}	H(CC[6a]C)	116.9950	0.000	1	116.9950	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C)	112.2845	2.805	2	113.4220	7.816	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	115.6970	0.000	1	113.4220	7.816	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	112.6340	0.199	2	112.6340	0.040	2	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.7620	0.000	1	116.7620	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.7760	0.000	1	117.7760	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	116.9990	0.000	1	116.6027	0.646	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.4045	1.027	2	116.6027	0.646	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	114.9375	0.613	2	114.9375	0.376	2	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C)	118.1900	0.000	1	118.1900	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.2250	0.154	2	117.2250	0.024	2	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	117.7715	0.694	2	116.9699	0.835	7	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.6492	0.826	5	116.9699	0.835	7	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	115.4590	0.000	1	115.4590	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	115.8987	0.343	3	115.8987	0.118	3	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	115.9000	0.000	1	115.9000	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C)	118.4580	0.000	1	118.4580	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	115.9780	0.000	1	115.9780	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.4060	0.892	7	116.4060	0.795	7	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.2232	0.744	4	117.2232	0.553	4	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]C)	117.9999	0.555	8	118.2094	0.319	12	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C)	118.6285	0.317	4	118.2094	0.319	12	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	117.4011	0.806	7	117.1054	0.547	14	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.8097	0.576	7	117.1054	0.547	14	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCl2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCl2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.9960	0.000	1	116.9960	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C)	119.1510	0.000	1	118.1800	1.886	2	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.2090	0.000	1	118.1800	1.886	2	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CRuH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CRuH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.5925	0.146	2	116.5925	0.021	2	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CRuH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CRuH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	116.9300	0.000	1	116.9300	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.4080	0.000	1	117.4080	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.2490	0.000	1	117.2490	0.000	1	116.6479	2.868	132	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CAlGe)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CAlGe)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.8270	0.000	1	113.8270	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CAlH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CAlH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.9317	0.548	3	115.9317	0.300	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CAlH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CAlH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4300	0.000	1	116.4300	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CAlP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CAlP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7253	0.833	7	116.7253	0.693	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.2130	0.000	1	117.2130	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6855	0.927	4	115.6855	0.859	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.5590	0.000	1	116.5590	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.2550	0.000	1	114.2550	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[5]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1920	0.000	1	115.1920	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[5]Si)(H)	C[6a](C[6a]C[6a]O)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5]Si)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1750	0.000	1	116.1750	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3535	0.322	2	116.3535	0.104	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.7700	0.000	1	115.7700	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0540	1.858	2	115.0540	3.453	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.0540	0.000	1	116.0540	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.5570	1.882	2	115.9107	2.147	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	116.6180	0.000	1	115.9107	2.147	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	113.4990	0.987	2	113.4990	0.974	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.6372	1.040	17	113.6372	1.082	17	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.9380	0.000	1	113.9380	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.6020	0.000	1	117.6020	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	114.0890	0.881	3	114.0890	0.775	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.0175	0.629	2	117.0175	0.395	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	113.8120	0.000	1	114.0377	0.038	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	114.1505	0.008	2	114.0377	0.038	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(CCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]C)	116.1410	0.000	1	116.1410	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]C)	115.7410	0.000	1	115.9901	1.331	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]C)	115.3163	0.620	3	115.9901	1.331	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]C)	115.9880	0.788	2	115.9901	1.331	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	118.2650	0.000	1	115.9901	1.331	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]S)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]S)(CCH){2|C<3>}	H(CC[6a]C)	118.1060	0.000	1	118.1060	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6,6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6,6a]H)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	114.2180	0.000	1	114.2180	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>}	H(CC[6a]C)	111.8600	0.194	2	111.8600	0.038	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.1900	0.000	1	117.1900	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCH){3|C<3>}	H(CC[6a]C)	115.2080	0.791	8	115.2080	0.626	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	118.7970	0.000	1	118.7970	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C)	116.6370	0.000	1	115.7198	0.720	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	116.3830	0.000	1	115.7198	0.720	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	116.3240	0.000	1	115.7198	0.720	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	114.9917	0.425	3	115.7198	0.720	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4492	1.003	6	116.4492	1.006	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0194	1.182	14	115.1777	1.673	15	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	117.3950	0.000	1	115.1777	1.673	15	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	114.8600	0.000	1	116.0240	2.710	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	117.1880	0.000	1	116.0240	2.710	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4729	0.598	10	116.4729	0.358	10	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.5782	0.532	6	115.5782	0.283	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.4635	2.713	2	117.0207	1.860	12	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.9321	1.185	10	117.0207	1.860	12	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	114.8430	0.000	1	114.8873	0.930	30	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	114.5680	0.504	3	114.8873	0.930	30	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.9259	1.022	26	114.8873	0.930	30	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	114.6405	0.166	2	114.7304	1.063	273	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	114.9815	1.715	2	114.7304	1.063	273	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	115.2364	0.592	5	114.7304	1.063	273	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	114.8024	1.096	13	114.7304	1.063	273	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]C)	114.4490	0.000	1	114.7304	1.063	273	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.7318	1.042	243	114.7304	1.063	273	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	115.2670	0.000	1	114.7304	1.063	273	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	114.0005	0.709	6	114.7304	1.063	273	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]C)	115.4360	0.000	1	115.4360	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]O)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.9600	0.000	1	115.9600	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]H)2(CCH){1|C<3>}	H(CC[6a]C)	114.5680	0.000	1	114.5680	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N[6])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N[6])2(CCH){1|C<3>,4|C<4>}	H(CC[6a]C)	113.7635	0.402	2	113.7635	0.162	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	114.6640	0.004	2	114.6640	0.000	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0233	0.210	4	115.0233	0.044	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	114.1460	0.000	1	114.1460	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	115.6630	0.000	1	115.9584	0.660	23	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.9718	0.829	22	115.9584	0.660	23	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.6550	0.000	1	117.6550	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.5850	0.000	1	116.0463	0.298	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.9386	0.534	5	116.0463	0.298	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(CCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(CC[6a]C)	115.7630	0.000	1	115.7630	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(CC[6a]C)	116.9300	1.084	3	116.0232	5.641	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	117.3130	0.000	1	116.0232	5.641	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	112.0130	0.000	1	116.0232	5.641	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>}	H(CC[6a]C)	115.9825	0.729	2	115.9825	0.531	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.7580	1.116	2	115.7580	1.245	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	114.7665	0.887	2	114.7665	0.788	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	113.6610	0.000	1	113.6610	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH){3|C<3>}	H(CC[6a]C)	116.2130	0.000	1	116.2130	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C)	115.7955	0.114	2	116.3368	0.208	30	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.9590	0.000	1	116.3368	0.208	30	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.3909	0.448	27	116.3368	0.208	30	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH){2|C<3>}	H(CC[6a]C)	117.2992	0.851	6	117.2992	0.724	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.9780	0.000	1	116.6345	2.111	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	116.8533	1.697	3	116.6345	2.111	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.7540	0.000	1	116.7540	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	116.7810	0.000	1	116.7810	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.0485	0.189	2	115.0485	0.036	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH){2|C<3>}	H(CC[6a]C)	115.7860	0.000	1	115.7860	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH){2|C<3>}	H(CC[6a]C)	116.1145	0.002	2	116.1145	0.000	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(CC[6a]C)	118.2070	0.000	1	117.1655	0.878	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	117.9730	0.000	1	117.1655	0.878	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	117.1585	0.964	2	117.1655	0.878	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	116.2480	0.204	2	117.1655	0.878	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	116.0630	0.000	1	116.0630	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.9355	0.733	2	116.4900	0.139	13	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4090	0.258	11	116.4900	0.139	13	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.6310	0.000	1	116.4463	1.806	63	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	117.3110	0.645	3	116.4463	1.806	63	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.8050	0.591	5	116.4463	1.806	63	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1178	1.288	39	116.4463	1.806	63	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	117.3900	0.747	13	116.4463	1.806	63	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	114.4305	3.627	2	116.4463	1.806	63	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	114.8660	0.000	1	114.8402	6.543	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	118.0640	0.819	2	114.8402	6.543	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.4385	0.080	4	114.8402	6.543	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	109.9740	0.000	1	114.8402	6.543	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.0900	0.000	1	116.2202	0.454	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1500	0.000	1	116.2202	0.454	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH){2|Cl<1>,1|C<3>}	H(CC[6a]C)	115.5080	0.000	1	116.2202	0.454	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH){3|C<3>}	H(CC[6a]C)	117.1330	0.000	1	116.2202	0.454	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH){3|C<3>,3|H<1>}	H(CC[6a]C)	117.3340	0.000	1	117.3340	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	118.3505	0.223	2	118.3505	0.050	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.3717	0.164	3	115.3717	0.027	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.8500	0.000	1	116.7446	0.341	44	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7488	0.583	41	116.7446	0.341	44	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){2|Cl<1>,1|C<3>}	H(CC[6a]C)	117.1060	0.042	2	116.7446	0.341	44	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.5685	2.097	6	115.5685	4.396	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	115.5950	0.000	1	116.7001	0.477	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C)	116.8093	0.281	3	116.7001	0.477	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7879	0.750	11	116.7001	0.477	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.5110	0.000	1	116.7001	0.477	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	115.6260	0.000	1	115.6260	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	116.1084	0.358	11	115.5852	0.810	20	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.9458	0.962	9	115.5852	0.810	20	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]C)	117.3768	0.850	4	117.0916	0.614	62	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	117.3865	0.721	2	117.0916	0.614	62	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.2010	0.632	5	117.0916	0.614	62	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.0469	0.806	51	117.0916	0.614	62	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	115.8678	0.927	5	116.3320	0.913	108	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.4670	0.000	1	116.3320	0.913	108	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.9400	0.000	1	116.3320	0.913	108	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.6798	0.677	35	116.3320	0.913	108	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1763	1.070	63	116.3320	0.913	108	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.0697	0.405	3	116.3320	0.913	108	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2092	0.092	5	116.2092	0.008	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.5190	0.573	2	116.5190	0.328	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	116.0760	0.645	10	116.5540	0.667	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){2|C<3>}	H(CC[6a]C)	117.3507	0.189	6	116.5540	0.667	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]C)	116.2050	0.000	1	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.4655	0.516	24	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.6590	0.057	2	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.0045	0.411	6	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C)	116.3218	0.210	5	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]C)	116.4380	0.000	1	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.1798	0.945	21	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.1537	0.722	133	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]C)	116.8500	0.258	3	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]C)	117.3510	0.000	1	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	122.3520	0.000	1	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	116.6415	0.159	2	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3008	0.972	1201	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|N<3>}	H(CC[6a]C)	115.5110	1.370	2	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	116.2507	0.868	42	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<4>,2|C<3>}	H(CC[6a]C)	116.3470	0.436	2	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.5181	0.700	22	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.1462	0.835	5	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	116.2837	1.050	28	116.2943	0.899	1502	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]C)	117.0440	0.000	1	117.3243	0.123	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C)	117.7180	0.000	1	117.3243	0.123	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]C)	117.2110	0.000	1	117.3243	0.123	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C)	115.1050	0.000	1	115.1050	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[6])2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[6])2(CCH){1|C<3>,2|H<1>,4|C<4>}	H(CC[6a]C)	116.0060	0.000	1	116.0060	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.2732	0.952	14	114.2732	0.906	14	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CCH){1|Br<1>,3|C<3>}	H(CC[6a]C)	117.1000	0.000	1	117.1000	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>}	H(CC[6a]C)	114.8660	0.000	1	114.8660	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]O)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]O)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	115.1736	0.888	5	115.1736	0.788	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCI)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0740	0.000	1	115.0740	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.0870	0.000	1	116.0870	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	113.8775	0.202	2	114.1110	0.184	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	114.5780	0.000	1	114.1110	0.184	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4430	0.000	1	116.4430	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]C)	117.2910	0.000	1	117.4535	0.053	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.6160	0.000	1	117.4535	0.053	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2750	0.808	2	115.2750	0.652	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	115.8180	0.024	2	115.0743	1.406	49	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	114.7050	1.001	2	115.0743	1.406	49	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0577	1.216	45	115.0743	1.406	49	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.8770	0.000	1	115.8770	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.3980	1.700	2	114.3980	2.890	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	114.0210	0.000	1	114.0210	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.9900	0.000	1	117.9900	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	114.9300	0.000	1	115.2461	1.610	18	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2646	1.305	17	115.2461	1.610	18	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	109.2160	0.000	1	109.2160	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.0619	1.041	10	114.0619	1.084	10	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	114.7712	0.955	6	114.7712	0.912	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.5740	0.000	1	116.5740	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.4620	0.000	1	115.4620	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.4590	0.052	2	115.8920	0.564	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){2|Br<1>,1|C<3>}	H(CC[6a]C)	116.7580	0.000	1	115.8920	0.564	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	115.7040	0.000	1	114.7974	6.171	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.6463	2.686	6	114.7974	6.171	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCW)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCW)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.2330	0.000	1	114.2330	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]C)	114.7630	0.000	1	114.7630	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	115.5210	0.000	1	116.5449	0.276	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.6132	0.464	15	116.5449	0.276	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.6985	0.216	2	114.6985	0.047	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[3]S)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]S)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	115.1420	0.000	1	115.1420	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[4,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7160	0.000	1	116.7160	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[4]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2470	0.000	1	115.2470	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.7483	0.386	3	117.7483	0.149	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.6706	0.530	14	116.6706	0.281	14	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[4]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.4290	0.283	2	113.4290	0.080	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.5025	0.262	2	116.3530	0.101	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.0540	0.000	1	116.3530	0.101	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	115.8310	0.000	1	115.8310	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.5914	1.100	8	116.5914	1.211	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]Br)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]Br)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.1740	0.000	1	113.1740	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.1240	0.000	1	116.1240	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.9248	0.898	10	115.9248	0.806	10	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.5010	0.000	1	115.5010	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.2590	1.153	2	115.9295	0.957	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.6000	1.052	2	115.9295	0.957	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.3745	2.128	4	116.3745	4.527	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	115.8905	0.366	2	115.8905	0.134	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]C)	115.8225	0.313	2	115.8225	0.098	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	116.6015	0.518	2	116.6015	0.269	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CCH){2|C<3>}	H(CC[6a]C)	116.8130	0.000	1	116.8130	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.2613	1.198	10	117.7342	1.951	18	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	119.6630	0.186	4	117.7342	1.951	18	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	116.9878	0.512	4	117.7342	1.951	18	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.0290	0.089	2	117.0290	0.008	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]C)	114.9430	0.000	1	114.7605	0.067	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>,3|O<2>}	H(CC[6a]C)	114.5780	0.000	1	114.7605	0.067	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.4980	0.000	1	113.4980	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.4630	0.000	1	114.4630	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.2171	0.715	15	116.2916	0.776	32	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.1450	0.841	7	116.2916	0.776	32	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3483	1.103	9	116.2916	0.776	32	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<4>,2|C<3>}	H(CC[6a]C)	117.9240	0.000	1	116.2916	0.776	32	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.9814	1.553	10	116.1854	2.918	104	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	108.7495	1.718	2	116.1854	2.918	104	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4967	0.918	81	116.1854	2.918	104	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	116.4750	0.000	1	116.1854	2.918	104	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	114.9955	3.325	8	116.1854	2.918	104	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	H(CC[6a]C)	116.6490	0.660	2	116.1854	2.918	104	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]O)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1410	1.308	2	115.1410	1.711	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]N[6a]O)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]N[6a]O)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	115.4970	0.000	1	115.4970	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	113.8000	0.628	2	113.8000	0.394	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	113.2240	0.000	1	113.2240	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]C)	113.9470	0.000	1	113.9470	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C)	114.6950	0.000	1	114.6950	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.5585	0.036	2	113.5585	0.001	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.6949	0.737	18	114.6658	0.529	19	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	114.1420	0.000	1	114.6658	0.529	19	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.8955	0.626	2	115.8955	0.392	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]C)	115.8920	0.002	3	115.8920	0.000	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	113.1050	0.000	1	113.1050	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	115.7710	0.386	2	115.7710	0.149	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.5880	0.000	1	116.5880	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.9417	3.399	3	115.1696	8.656	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.0115	0.459	2	115.1696	8.656	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	112.8837	5.611	3	114.2820	19.430	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3795	0.289	2	114.2820	19.430	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.8360	0.000	1	116.8360	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	116.2674	0.288	5	116.2674	0.083	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.5130	0.000	1	118.0093	0.204	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	118.0414	0.466	7	118.0093	0.204	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	118.2810	0.000	1	118.0093	0.204	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.4800	0.000	1	116.1513	1.050	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.8856	0.885	5	116.1513	1.050	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	116.2230	0.000	1	116.2230	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C)	116.9070	0.823	2	116.4075	0.493	98	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	115.9680	0.000	1	116.4075	0.493	98	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.4267	0.757	6	116.4075	0.493	98	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4180	0.678	81	116.4075	0.493	98	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	114.9290	0.000	1	116.4075	0.493	98	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	117.0865	1.126	2	116.4075	0.493	98	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	116.0055	0.175	2	116.4075	0.493	98	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	H(CC[6a]C)	116.2050	0.997	3	116.4075	0.493	98	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.7860	0.000	1	115.7860	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6570	0.000	1	115.6570	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1574	0.772	7	116.1574	0.596	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]Br)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]Br)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	112.6720	0.000	1	112.6720	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	116.7170	0.000	1	116.7170	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.9039	0.957	10	115.0284	0.995	11	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.2730	0.000	1	115.0284	0.995	11	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]F)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]F)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6835	0.008	4	115.6835	0.000	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	117.0440	0.000	1	116.5550	0.444	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.4327	0.702	4	116.5550	0.444	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.4857	0.652	4	117.4857	0.425	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)2(CCH){2|H<1>,5|C<3>}	H(CC[6a]C)	113.5210	0.202	2	113.5210	0.041	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7780	0.000	1	116.7780	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]C)	115.7100	0.000	1	116.2810	0.199	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4237	0.360	4	116.2810	0.199	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7950	0.722	7	116.7950	0.522	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.7285	1.008	2	117.7285	1.015	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.0170	0.000	1	117.0170	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	115.2790	0.826	2	115.2790	0.682	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1110	1.837	2	116.1110	3.375	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.7370	0.000	1	116.4298	1.291	19	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.6538	0.727	6	116.4298	1.291	19	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2292	1.378	10	116.4298	1.291	19	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<4>,2|C<3>}	H(CC[6a]C)	117.7580	0.000	1	116.4298	1.291	19	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|O<2>,2|C<3>}	H(CC[6a]C)	115.4560	0.000	1	116.4298	1.291	19	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.6670	0.321	3	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.7740	0.000	1	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.9675	0.634	2	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C)	116.9305	0.221	2	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.9375	0.920	2	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.1219	1.361	31	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	115.9870	3.284	2	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4642	1.169	316	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.4857	0.810	3	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	117.3531	1.148	27	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){2|Br<1>,1|C<3>}	H(CC[6a]C)	116.8160	0.000	1	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	H(CC[6a]C)	116.8745	0.327	6	116.5125	1.422	396	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Si)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Si)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2665	0.281	2	116.2665	0.079	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	114.6670	0.000	1	114.6670	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]Os)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]Os)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.8740	0.000	1	114.8740	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]P)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]P)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	112.9330	0.000	1	112.9330	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]P[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]P[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.3160	0.000	1	113.3160	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.7850	0.000	1	115.7850	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	115.5485	0.725	2	115.5485	0.525	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	116.2285	0.255	2	116.2285	0.065	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.5010	0.000	1	115.5010	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	116.9640	0.000	1	116.9640	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	115.5493	0.526	3	115.5493	0.277	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	115.7830	0.000	1	115.7830	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	116.9720	0.000	1	116.9720	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	115.4010	0.000	1	115.5620	0.223	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6425	0.639	2	115.5620	0.223	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	117.0920	0.000	1	115.6940	1.037	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.2280	0.503	3	115.6940	1.037	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	114.6570	0.000	1	115.2544	1.060	46	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	113.9560	0.000	1	115.2544	1.060	46	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2975	1.029	44	115.2544	1.060	46	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Al)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Al)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.9030	0.000	1	113.9030	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.7360	0.226	2	115.7360	0.051	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.5603	0.373	3	114.5603	0.139	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.4060	0.000	1	117.4060	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	112.8481	1.732	7	112.8481	3.000	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]C)	116.0210	0.000	1	116.0210	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]C)	113.8900	0.000	1	113.8900	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	114.9532	0.764	5	114.9532	0.584	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	113.7950	0.000	1	113.7950	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH){2|C<3>}	H(CC[6a]C)	116.1315	0.029	2	116.1315	0.001	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	116.2070	0.000	1	116.2070	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.6830	0.561	2	116.6830	0.315	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.8283	0.517	7	115.8283	0.267	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1650	0.000	2	115.1650	0.000	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.3630	0.000	1	115.3630	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4793	1.915	7	116.4377	3.157	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.1470	0.000	1	116.4377	3.157	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.9410	0.000	1	116.6847	0.479	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.3468	0.474	4	116.6847	0.479	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.7800	0.000	1	116.6847	0.479	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6350	0.266	2	115.6350	0.071	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	115.1670	0.000	1	114.5696	0.903	167	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C)	113.9750	0.000	1	114.5696	0.903	167	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]C)	114.3050	0.000	1	114.5696	0.903	167	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	114.3064	0.635	14	114.5696	0.903	167	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.5959	0.979	150	114.5696	0.903	167	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.2527	1.067	4	114.2527	1.138	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	117.1290	0.000	1	117.1290	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.3871	0.454	8	115.3871	0.206	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1253	0.231	3	115.1253	0.054	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.8340	0.377	3	113.6753	0.196	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	H(CC[6a]C)	113.1990	0.000	1	113.6753	0.196	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]D)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]D)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.0440	0.000	1	116.0440	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]F)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]F)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.7660	0.000	1	115.7660	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.9200	1.172	9	116.9200	1.373	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	114.7760	0.345	3	114.7760	0.119	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	117.2080	0.304	3	117.0226	0.472	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.7445	1.203	2	117.0226	0.472	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	117.6730	0.000	1	117.6730	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.8790	0.000	1	115.5452	9.605	13	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.4341	3.210	12	115.5452	9.605	13	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(CC[6a]C)	116.3350	0.000	1	117.1172	0.547	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(CC[6a]C)	117.3205	1.193	2	117.1172	0.547	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.3050	0.035	2	117.1172	0.547	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.2188	0.371	4	116.3398	0.361	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.7745	0.156	2	116.3398	0.361	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]C)	116.3970	0.616	9	116.3398	0.361	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.4400	0.000	1	116.3398	0.361	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCH){4|C<3>}	H(CC[6a]C)	115.1314	0.285	5	115.1314	0.081	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.8902	0.472	13	116.8902	0.223	13	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH){2|C<3>}	H(CC[6a]C)	115.5203	0.266	4	115.5203	0.071	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C)	116.0570	0.000	1	116.0570	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]C)	117.3310	0.000	1	115.2413	6.301	12	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	114.1176	1.960	8	115.2413	6.301	12	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	117.5413	2.457	3	115.2413	6.301	12	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.8135	0.323	2	114.7873	2.986	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.9768	1.256	5	114.7873	2.986	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	115.8331	2.154	14	116.4248	4.341	25	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3113	3.739	3	116.4248	4.341	25	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.5026	0.487	8	116.4248	4.341	25	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	119.2477	2.480	7	115.9010	3.147	174	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.5473	1.634	138	115.9010	3.147	174	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	117.4444	0.417	5	115.9010	3.147	174	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.5514	0.886	20	115.9010	3.147	174	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	117.0650	1.273	4	115.9010	3.147	174	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.2815	0.848	2	116.2815	0.719	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.4563	1.287	6	116.1657	1.607	11	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	117.3555	0.228	2	116.1657	1.607	11	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|N<2>,2|C<4>}	H(CC[6a]C)	116.7913	0.596	3	116.1657	1.607	11	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]C)	117.2560	0.000	1	115.8277	2.070	25	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]C)	117.5885	0.544	2	115.8277	2.070	25	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]C)	116.0387	0.482	10	115.8277	2.070	25	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){2|H<1>,4|C<3>}	H(CC[6a]C)	115.2393	1.770	12	115.8277	2.070	25	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.2065	0.125	2	117.0912	0.155	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.0143	0.529	3	117.0912	0.155	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	117.3830	0.000	1	117.3830	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	116.4710	0.000	1	116.4710	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	115.7942	2.271	19	115.8072	4.447	22	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4770	0.000	1	115.8072	4.447	22	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|I<1>}	H(CC[6a]C)	115.5960	0.000	2	115.8072	4.447	22	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	110.3945	0.571	2	110.3945	0.326	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1447	0.884	164	116.1745	0.815	172	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	115.9857	0.678	4	116.1745	0.815	172	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.5877	0.873	4	116.1745	0.815	172	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|N<3>}	H(CC[6a]C)	118.6860	0.000	1	116.1236	1.330	47	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]C)	115.6370	0.000	1	116.1236	1.330	47	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.9477	1.119	33	116.1236	1.330	47	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3714	1.077	11	116.1236	1.330	47	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|N<2>,2|C<4>}	H(CC[6a]C)	117.1290	0.000	1	116.1236	1.330	47	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6947	2.153	16	115.6947	4.637	16	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.2429	0.825	15	117.2429	0.681	15	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	116.4928	0.553	11	116.4928	0.306	11	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	117.8684	1.479	5	117.8684	2.188	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.6624	2.489	5	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]C)	116.7230	0.000	1	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.8610	0.000	1	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.4715	0.855	14	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C)	116.6205	0.326	2	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C)	117.3765	0.005	2	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.1278	0.620	5	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.9990	1.688	27	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	116.6508	0.789	8	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	116.1690	0.000	1	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3567	1.420	526	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	116.4697	0.946	48	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.5993	1.581	16	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|C<3>}	H(CC[6a]C)	116.8040	0.485	3	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	116.7970	1.814	358	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|N<3>}	H(CC[6a]C)	115.0935	1.841	2	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){2|Br<1>,1|C<3>}	H(CC[6a]C)	117.6700	0.000	1	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	H(CC[6a]C)	116.3647	1.644	6	116.5176	2.440	1026	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.3363	2.361	3	116.6394	2.195	10	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.7693	1.170	7	116.6394	2.195	10	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C)	115.8840	0.000	1	115.8840	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]C)	116.1820	0.000	1	116.1820	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]O)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	112.6960	3.896	2	113.8187	11.371	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]O)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	116.0640	0.000	1	113.8187	11.371	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.6450	2.331	8	113.7098	4.703	10	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	113.9690	2.035	2	113.7098	4.703	10	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Ir)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Ir)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.9220	0.000	1	115.9220	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	122.5443	0.934	4	122.5443	0.873	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.9135	1.231	2	116.9135	1.516	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.8720	0.000	1	115.4494	0.707	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0938	0.316	4	115.4494	0.707	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.9240	0.000	1	113.9240	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.8400	0.000	1	114.8400	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.6940	0.000	1	114.6940	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7393	0.273	7	116.7393	0.074	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6229	1.098	9	115.6229	1.206	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	113.9125	0.411	2	113.9125	0.169	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	112.9230	0.000	1	112.9230	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2123	0.553	3	115.2123	0.305	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.5380	0.000	1	114.5380	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Re)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Re)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.7880	0.000	1	113.7880	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.0290	0.000	1	116.0290	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1320	0.000	1	116.1320	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1718	0.459	8	115.3081	0.351	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.3990	0.000	1	115.3081	0.351	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Sb)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Sb)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	120.0820	0.000	2	120.0820	0.000	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.6170	0.000	1	114.6170	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.6152	0.625	6	114.6152	0.390	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	112.9960	0.000	1	112.9960	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]C)	117.7690	0.937	4	118.1881	4.600	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	116.7825	0.409	2	118.1881	4.600	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	122.6760	0.000	1	118.1881	4.600	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.9980	0.000	1	115.9980	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.0370	0.000	1	116.0370	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	115.6140	0.000	1	115.6140	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.4807	1.646	6	114.4807	2.711	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	117.5950	0.000	1	117.5950	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CClN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.9100	0.000	1	115.9100	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCuH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCuH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4160	0.000	1	116.4160	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.9060	0.000	1	114.9060	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.2290	0.000	1	115.2290	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0450	0.000	1	116.0275	1.931	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	117.0100	0.000	1	116.0275	1.931	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFe2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFe2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.3890	0.000	1	114.3890	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFeC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFeC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.8640	0.000	1	116.8640	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CFeN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFeN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.9630	0.000	1	117.9630	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.3580	0.000	1	116.3580	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	116.2515	1.085	2	116.2515	1.178	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2935	2.041	2	116.5743	1.506	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.8550	0.190	2	116.5743	1.506	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.4810	0.215	2	117.4810	0.046	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]Br)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]Br)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2893	0.828	3	116.2893	0.685	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.7526	0.487	5	115.6619	0.649	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.5485	1.177	4	115.6619	0.649	9	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CGeH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGeH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.3275	0.624	2	115.3275	0.390	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|B<4>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.1380	0.000	1	116.1380	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|C<2>,4|C<3>}	H(CC[6a]C)	116.7380	0.000	1	116.7380	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.3260	0.000	1	115.8803	0.347	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6575	0.630	2	115.8803	0.347	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C)	116.5968	0.829	4	116.5968	0.688	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]C)	117.7520	0.000	1	117.7520	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.0990	0.107	2	117.0990	0.012	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|B<4>,1|C<3>,1|H<1>}	H(CC[6a]C)	116.8800	0.058	2	116.1896	2.168	69	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.1968	0.722	6	116.1896	2.168	69	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2228	1.579	54	116.1896	2.168	69	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	115.6980	0.428	3	116.1896	2.168	69	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|C<3>}	H(CC[6a]C)	113.0840	0.000	1	116.1896	2.168	69	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	H(CC[6a]C)	116.8490	0.000	2	116.1896	2.168	69	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	H(CC[6a]C)	116.2350	0.000	1	116.1896	2.168	69	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHI)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHI)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.0530	0.000	1	116.0530	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHI)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHI)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.0948	0.586	5	117.0948	0.344	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	117.7835	0.142	2	117.7835	0.020	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	H(CC[6a]C)	120.3835	2.181	2	120.3835	4.759	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.8310	0.000	1	117.8310	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.4660	0.000	1	116.8480	0.292	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.2300	0.000	1	116.8480	0.292	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.9340	0.000	1	117.9340	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.1440	0.000	1	115.5667	1.141	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.9135	0.100	2	115.5667	1.141	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	115.2960	0.000	1	115.5667	1.141	4	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.3928	1.978	31	117.3928	3.912	31	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	115.2770	0.000	1	115.2770	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	118.9120	5.394	2	118.9120	29.093	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.4155	1.572	2	113.4155	2.471	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.4074	2.598	7	113.4074	6.748	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	H(CC[6a]C)	116.6030	0.157	2	116.6030	0.025	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH){2|C<3>}	H(CC[6a]C)	116.2418	1.580	6	116.2418	2.496	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1560	0.000	1	116.1560	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2199	0.846	14	116.2199	0.715	14	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CIrC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CIrC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2920	1.035	5	116.2920	1.071	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CIrC)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CIrC)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	122.3910	0.000	1	122.3910	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CIrH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CIrH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]C)	117.7390	0.000	1	117.7390	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CIrH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CIrH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4218	1.124	6	116.4218	1.264	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CMnC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CMnC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1940	1.011	2	115.1940	1.022	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CMnPt)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CMnPt)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.1240	0.000	1	114.1240	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CMoH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CMoH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.5020	0.020	2	115.5020	0.000	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C)	115.2075	0.630	2	115.2075	0.397	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	H(CC[6a]C)	111.1040	0.000	1	111.1040	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2608	0.776	5	115.2608	0.602	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.0263	3.673	3	114.0263	13.489	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.1265	1.126	6	117.1265	1.267	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.2067	0.736	3	115.2067	0.542	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]F)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]F)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1820	0.000	1	115.1820	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]Ge)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]Ge)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.4887	0.318	3	114.4887	0.101	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.1906	1.425	5	117.1906	2.029	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.6420	0.000	1	114.6420	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	117.4740	0.000	1	117.4740	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	117.0020	0.000	1	117.0020	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.5240	0.000	1	115.5240	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7745	0.210	2	116.7745	0.044	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.8330	0.000	1	116.8330	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	113.6450	0.000	1	114.4183	0.432	15	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.4736	0.645	14	114.4183	0.432	15	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	115.6050	0.000	1	116.2913	0.537	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4057	0.731	6	116.2913	0.537	7	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH){2|C<3>}	H(CC[6a]C)	113.7320	0.000	1	113.7320	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.7740	0.000	1	114.7740	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.2560	0.000	1	117.2560	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.4150	0.000	1	114.4150	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.8723	0.912	3	117.8723	0.832	3	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CNiH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNiH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.5420	0.000	1	114.5420	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|F<1>,1|H<1>,3|C<3>}	H(CC[6a]C)	118.2465	0.076	2	118.2465	0.006	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.8700	0.000	1	117.8700	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COsC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(COsC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.4730	0.000	1	114.4730	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(COsH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(COsH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.7290	0.000	1	117.7290	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CPP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	113.9100	0.000	1	113.9100	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CP[4]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CP[4]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.1000	0.000	1	114.1000	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CP[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CP[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.3110	0.000	1	114.3110	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPbH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CPbH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6100	0.000	1	115.6100	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPdH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CPdH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2124	1.202	5	116.2124	1.446	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPtH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CPtH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	116.5410	0.000	1	116.2684	0.808	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CPtH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CPtH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.2294	0.964	7	116.2684	0.808	8	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CReH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CReH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0980	0.006	2	115.0980	0.000	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CReH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CReH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.5640	0.000	1	116.5640	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRhH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRhH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]C)	116.9700	0.624	2	116.9700	0.389	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRhH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRhH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.8210	0.000	1	114.8210	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.0250	1.543	6	115.0250	2.380	6	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuC)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuC)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	121.1770	0.000	1	121.1770	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	H(CC[6a]C)	116.7280	0.074	2	116.7280	0.005	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.2280	0.000	1	116.2280	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	117.1720	0.000	1	117.1720	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C)	116.6496	0.491	5	116.6496	0.241	5	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C)	117.2480	0.000	1	116.6202	1.586	17	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.5809	1.290	16	116.6202	1.586	17	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CRuP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CRuP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.7890	0.000	1	115.7890	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.3580	3.685	2	114.3580	13.582	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSi2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSi2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	111.1400	0.000	1	111.1400	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSiB)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiB)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1000	0.000	1	115.1000	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.2650	0.000	1	114.2650	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSiC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>,1|H<1>}	H(CC[6a]C)	115.6560	0.000	1	115.6560	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	H(CC[6a]C)	115.8860	0.000	1	115.8860	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.6972	0.691	11	115.6972	0.477	11	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSiP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7900	0.000	1	116.7900	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSi[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSi[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.4350	0.000	1	116.4350	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSnC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSnC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.9860	0.000	1	114.9860	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSnN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSnN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	114.1840	1.082	2	114.1840	1.170	2	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSnS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSnS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	107.5370	0.000	1	107.5370	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CTeH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CTeH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1360	0.000	1	116.1360	0.000	1	116.1034	2.043	5883	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(CC[6a]C)	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[3]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[3]C[3]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H)	H(CC[6a]C[3])	C(C[6a]C[6a]2)(C[3]C[3]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H){1|C<3>,2|H<1>}	H(CC[6a]C[3])	117.3424	0.378	5	117.3424	0.143	5	117.3424	0.143	5	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[4]H)	H(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[4]H){1|H<1>,2|C<3>}	H(CC[6a]C[4])	115.3240	0.000	1	115.3240	0.000	1	115.3494	0.562	16	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H)	H(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2)(H)	C[6a](C[6a]C[6a]H)2(CC[4]H){1|C<3>,2|H<1>}	H(CC[6a]C[4])	115.3511	0.776	15	115.3511	0.602	15	115.3494	0.562	16	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CC[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a,6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[5a,6a]C[6a,6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[5]H){1|H<1>,5|C<3>}	H(CC[6a]C[5])	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CC[5]H){6|C<3>}	H(CC[6a]C[5])	115.4250	0.000	1	115.4250	0.000	1	115.4250	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]H){2|H<1>,5|C<3>}	H(CC[6a]C[5])	115.9692	1.752	6	115.9692	3.070	6	115.9692	3.070	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	H(CC[6a]C[5])	115.9025	0.507	2	115.9025	0.257	2	114.2387	13.807	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C[5])	106.8600	0.000	1	111.5370	43.749	2	114.2387	13.807	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	H(CC[6a]C[5])	116.2140	0.000	1	111.5370	43.749	2	114.2387	13.807	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]H){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C[5])	116.4470	0.000	1	116.4470	0.000	1	114.2387	13.807	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	H(CC[6a]C[5])	114.1060	0.000	1	114.1060	0.000	1	114.2387	13.807	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	112.0015	1.433	2	113.1784	1.814	8	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	113.5707	1.179	6	113.1784	1.814	8	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]H){1|H<1>,2|C<3>}	H(CC[6a]C[5])	118.7770	0.000	1	118.7770	0.000	1	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.4382	0.791	6	115.4382	0.626	6	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[5])	119.2570	0.000	1	117.0804	3.447	5	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	116.5362	1.619	4	117.0804	3.447	5	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H){1|C<3>,2|C<4>}	H(CC[6a]C[5])	116.6700	0.000	1	116.9737	0.113	3	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	117.1255	0.295	2	116.9737	0.113	3	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.6350	0.000	1	114.6350	0.000	1	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	115.4160	0.000	1	115.4160	0.000	1	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	112.7610	0.000	1	114.2749	0.551	15	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.4857	0.411	8	114.2749	0.551	15	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.2460	0.881	6	114.2749	0.551	15	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H){1|C<3>,1|H<1>}	H(CC[6a]C[5])	114.8760	0.000	1	114.8760	0.000	1	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	115.2437	0.287	3	114.4572	1.528	149	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	115.8650	0.000	1	114.4572	1.528	149	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[5])	114.8460	0.000	1	114.4572	1.528	149	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.6825	0.679	10	114.4572	1.528	149	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.4328	1.231	127	114.4572	1.528	149	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	H(CC[6a]C[5])	114.8623	1.568	4	114.4572	1.528	149	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	111.5450	0.666	2	114.4572	1.528	149	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|N<2>,2|H<1>}	H(CC[6a]C[5])	115.3540	0.000	1	114.4572	1.528	149	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]N[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]N[6a]H)2(CC[5]H){1|C<3>}	H(CC[6a]C[5])	116.0750	0.000	1	116.0750	0.000	1	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	111.4830	0.232	2	111.4830	0.054	2	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]C[5])	115.0240	0.000	1	115.0240	0.000	1	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.7208	0.777	6	114.7791	0.527	7	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|N<2>,2|H<1>}	H(CC[6a]C[5])	115.1290	0.000	1	114.7791	0.527	7	114.5465	1.896	201	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(CC[5a]H)	H(CC[5a]C[6a])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(CC[5a]H){1|H<1>,4|C<3>}	H(CC[5a]C[6a])	115.4660	0.000	1	115.4660	0.000	1	114.8880	0.668	2	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]H)	H(CC[5a]C[6a])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]H){2|H<1>,3|C<3>}	H(CC[5a]C[6a])	114.3100	0.000	1	114.3100	0.000	1	114.8880	0.668	2	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]2)(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6]H){2|H<1>,5|C<3>}	H(CC[6a]C[6])	114.1910	0.310	2	114.1910	0.096	2	114.1910	0.096	2	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C[6])	106.6623	0.299	3	113.5984	19.664	12	113.8895	19.127	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C[6])	115.7530	3.174	3	113.5984	19.664	12	113.8895	19.127	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){2|H<1>,3|C<3>}	H(CC[6a]C[6])	115.9892	0.829	6	113.5984	19.664	12	113.8895	19.127	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){2|H<1>,3|C<3>}	H(CC[6a]C[6])	117.3820	0.000	1	117.3820	0.000	1	113.8895	19.127	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]H){1|H<1>,2|C<3>}	H(CC[6a]C[6])	111.3180	0.000	1	111.3180	0.000	1	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	116.7100	0.000	1	116.7100	0.000	1	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6])	113.4930	0.000	1	115.0759	2.058	8	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.3020	1.387	7	115.0759	2.058	8	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	116.1851	0.565	39	116.1602	0.336	40	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6])	115.1920	0.000	1	116.1602	0.336	40	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	117.8880	0.351	2	117.8880	0.123	2	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[6])	115.6100	0.369	4	115.6079	0.275	15	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6])	115.2622	0.352	4	115.6079	0.275	15	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	115.8043	0.622	7	115.6079	0.275	15	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[6])	115.5810	0.000	1	115.5810	0.000	1	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	116.1668	0.604	5	116.1668	0.364	5	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6])	115.9264	1.078	5	115.4878	2.058	13	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.9228	1.805	6	115.4878	2.058	13	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<4>,2|C<3>}	H(CC[6a]C[6])	116.0865	0.404	2	115.4878	2.058	13	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H){1|C<3>,1|H<1>}	H(CC[6a]C[6])	115.5440	0.771	6	115.5440	0.594	6	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.8185	0.101	2	114.8185	0.010	2	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]C[6])	114.7460	0.208	2	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6])	114.2150	2.209	2	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]C[6])	114.9770	0.000	1	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6])	114.2602	1.509	13	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|C<4>}	H(CC[6a]C[6])	113.6388	2.655	5	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	114.7834	1.221	200	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|O<2>}	H(CC[6a]C[6])	114.7732	0.815	5	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6])	116.0520	0.000	1	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|H<1>,2|C<3>}	H(CC[6a]C[6])	113.9050	0.000	1	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|N<2>,2|H<1>}	H(CC[6a]C[6])	115.1764	0.810	9	114.7429	1.593	239	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]C[6])	113.4790	0.000	1	113.4790	0.000	1	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>}	H(CC[6a]C[6])	116.6200	0.000	1	116.6200	0.000	1	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]S[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]S[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	113.6200	0.000	1	113.6200	0.000	1	115.0383	1.691	336	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]H)	H(CC[6a]2)	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2)	112.9128	0.919	4	112.9128	0.844	4	112.8267	2.313	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]H)	H(CC[6a]2)	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2)	110.6540	0.000	1	110.6540	0.000	1	112.8267	2.313	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]H)	H(CC[6a]2)	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2)	113.1505	1.879	4	113.1505	3.529	4	112.8267	2.313	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]N[6a]O)2(CC[6a]H)	H(CC[6a]2)	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]N[6a]O)2(CC[6a]H){1|C<3>,2|C<4>}	H(CC[6a]2)	110.5740	0.000	1	110.5740	0.000	1	112.8267	2.313	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]H)	H(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2)	113.6850	1.331	2	113.7553	0.900	3	112.8267	2.313	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]H)	H(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]H){1|C<3>,2|O<2>}	H(CC[6a]2)	113.8960	0.000	1	113.7553	0.900	3	112.8267	2.313	13	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H)	H(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]2)	113.7025	1.316	2	113.7025	1.732	2	113.7070	0.866	3	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H)	H(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]2)	113.7160	0.000	1	113.7160	0.000	1	113.7070	0.866	3	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(NC[6a]Mn)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5,6a]C[6a])(NC[6a]Mn)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHN){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N)	117.7645	0.103	2	117.7645	0.011	2	117.7645	0.011	2	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NAlC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NAlC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Al<5>,1|H<1>,3|C<3>}	H(CC[6a]N)	118.0620	0.868	2	118.0620	0.754	2	117.1089	0.550	11	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){1|Ir<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	117.3710	0.079	2	117.3710	0.006	2	117.1089	0.550	11	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a]Pt)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a]Pt)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Pt<4>,1|C<4>,3|C<3>}	H(CC[6a]N)	116.4557	0.595	4	116.4557	0.354	4	117.1089	0.550	11	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NC[6a]Rh)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NC[6a]Rh)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){1|Rh<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	117.1455	0.056	2	117.1455	0.003	2	117.1089	0.550	11	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(NPdN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[5a,6a]C[6a])(NPdN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Pd<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	117.2180	0.000	1	117.2180	0.000	1	117.1089	0.550	11	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NCO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NCO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHN){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]N)	105.7390	0.000	1	105.7390	0.000	1	114.1153	31.366	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NC[6a]Cu)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NC[6a]Cu)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHN){1|Cu<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	116.8850	0.000	1	116.8850	0.000	1	114.1153	31.366	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NC[6a]Pd)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NC[6a]Pd)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHN){1|Pd<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	116.3950	0.000	1	116.3950	0.000	1	114.1153	31.366	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6,6a]C[6a])(NCoN)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6,6a]C[6a])(NCoN)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHN){1|Co<6>,1|H<1>,3|C<3>}	H(CC[6a]N)	117.4420	0.000	1	117.4420	0.000	1	114.1153	31.366	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NIrC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NIrC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){1|Ir<8>,1|H<1>,5|C<3>}	H(CC[6a]N)	117.5865	0.401	2	116.6668	1.222	4	116.9786	1.402	5	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NIrC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NIrC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	115.7470	0.346	2	116.6668	1.222	4	116.9786	1.402	5	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(NRuN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]2)(NRuN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	118.2260	0.000	1	118.2260	0.000	1	116.9786	1.402	5	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[3]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[3]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.0500	0.000	1	118.0500	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[3x6]Co)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[3x6]Co)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.0478	0.276	4	116.0478	0.076	4	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.9500	0.000	1	117.9500	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6]Cu)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6]Cu)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.0270	0.102	5	116.0270	0.010	5	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6]Ni)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6]Ni)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.8400	0.000	1	116.8400	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ag)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ag)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.9730	0.293	2	117.9730	0.086	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Co)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Co)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.1403	0.509	11	116.1403	0.260	11	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Cr)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Cr)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){1|Si<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	116.2130	0.000	1	116.2130	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Cu)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Cu)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.3368	0.388	13	116.3368	0.150	13	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Fe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Fe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.3556	0.514	7	116.3556	0.264	7	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.1000	0.000	1	117.1000	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.3257	0.316	3	117.3257	0.100	3	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Ir)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Ir)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	121.1380	0.000	1	121.1380	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHN){1|H<1>,3|C<3>}	H(CC[6a]N)	116.9030	0.841	2	116.9030	0.708	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Mo)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Mo)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.9690	0.000	1	116.9690	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.0188	0.806	13	117.0188	0.650	13	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){1|Pd<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	116.5343	0.287	3	116.5343	0.082	3	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Pd)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Pd)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	120.8550	0.000	1	120.8550	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pd)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	115.5920	0.082	2	115.5920	0.007	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pt)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Pt)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pt)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Pt)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	120.8077	0.600	3	120.8077	0.361	3	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pt)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Pt)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	115.9390	0.000	1	115.9390	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ru)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ru)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	115.8640	0.705	3	115.8640	0.497	3	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Sn)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Sn)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	114.1230	3.290	5	114.1230	10.826	5	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Zn)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Zn)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.2232	0.454	5	116.2232	0.206	5	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCoC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCoC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.4640	0.776	7	116.4640	0.602	7	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCoO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCoO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){1|H<1>,1|O<3>,3|C<3>}	H(CC[6a]N)	116.3725	0.418	2	116.3725	0.175	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCrC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCrC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){1|Si<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	116.5910	0.000	1	116.5910	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCuC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCuC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.5377	0.491	30	116.5377	0.241	30	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NCuN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NCuN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	119.8730	0.081	2	119.8730	0.006	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NFeC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NFeC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.0109	0.470	48	117.0109	0.221	48	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NFeN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NFeN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.8260	0.000	1	117.8260	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NMnC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NMnC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.0686	0.574	30	117.0686	0.330	30	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NMnO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NMnO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.3405	0.350	2	117.3405	0.123	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NMoC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NMoC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.7990	0.000	1	117.7990	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NMoN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NMoN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.1505	0.134	2	118.1505	0.018	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NNV)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NNV)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.7670	0.000	1	117.7670	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NNiC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NNiC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.0067	0.612	69	117.0067	0.375	69	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NNiN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NNiN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.5060	0.016	2	116.5060	0.000	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NNiO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NNiO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){1|H<1>,1|O<3>,3|C<3>}	H(CC[6a]N)	116.5033	0.551	3	116.5033	0.304	3	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NPdC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NPdC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){1|Pd<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	116.6247	0.388	3	116.6247	0.151	3	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NPdC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NPdC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	115.8274	0.407	7	115.8274	0.166	7	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NPdN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NPdN)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	114.7705	1.063	2	114.7705	1.130	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NPdN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NPdN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.2080	0.000	1	116.2080	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NPdN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NPdN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.3880	0.000	1	117.3880	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NReN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NReN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.1600	0.000	1	118.1600	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NRhC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NRhC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	114.8750	0.000	2	114.8750	0.000	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NRuC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NRuC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	114.7930	0.000	1	114.7930	0.000	1	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NSnC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NSnC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.5640	0.327	2	116.5640	0.107	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NSnN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NSnN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.3637	0.339	15	116.3637	0.115	15	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NZnC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NZnC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.1707	0.560	19	116.1707	0.314	19	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NZnN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NZnN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.3765	0.176	2	118.3765	0.031	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(NZnO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(NZnO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHN){1|H<1>,1|O<3>,3|C<3>}	H(CC[6a]N)	117.7295	0.129	2	117.7295	0.017	2	116.7600	1.034	349	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	117.0315	0.668	2	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	114.5197	0.963	3	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	117.3360	0.387	2	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.4698	0.436	4	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.1172	0.517	33	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9099	2.232	11	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.2400	0.000	1	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]N)	117.3080	0.264	2	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	117.5812	0.541	9	117.0468	1.327	67	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.5150	0.000	1	115.5150	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAlN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAlN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.5640	0.000	1	116.5640	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NAuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NAuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	115.5860	0.143	2	115.5860	0.020	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3520	1.574	2	115.3520	2.478	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NBeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NBeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.1950	0.207	4	118.1950	0.043	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NBiC)(H)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NBiC)(H)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.8437	0.770	12	119.8437	0.593	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	120.5040	0.000	2	120.5040	0.000	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.0550	0.000	1	114.0550	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	106.0800	6.201	2	106.0800	38.456	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	H(CC[6a]N)	119.0300	0.000	1	119.0300	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.3038	0.621	19	117.3567	0.422	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	118.3620	0.000	1	117.3567	0.422	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.9890	0.000	1	116.9890	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.3713	0.372	8	116.3713	0.138	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.8990	0.000	1	116.6995	0.080	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.5000	0.000	1	116.6995	0.080	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9232	0.928	4	116.9232	0.861	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.1970	0.133	4	117.1970	0.018	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.5580	0.303	4	116.5580	0.092	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.5130	0.000	1	116.5130	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.3095	0.066	2	116.8280	0.431	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1140	0.755	4	116.8280	0.431	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.7210	0.000	1	116.8280	0.431	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCW)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCW)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9550	0.000	1	115.9550	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCW)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCW)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.0577	0.246	3	116.0577	0.061	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.0570	0.180	2	115.9867	0.031	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	115.8460	0.000	1	115.9867	0.031	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	115.3230	0.000	1	115.7614	0.289	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	116.3225	0.035	2	115.7614	0.289	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.4195	0.316	2	115.7614	0.289	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.4660	0.000	1	116.4660	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.0105	0.170	2	115.9300	0.109	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	116.1875	0.199	2	115.9300	0.109	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.7000	0.354	5	115.9300	0.109	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.1670	0.041	2	115.9300	0.109	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.2650	0.000	1	116.1675	0.019	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.0700	0.000	1	116.1675	0.019	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	115.9240	0.208	2	115.9625	0.017	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[3x6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[3x6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.0010	0.045	2	115.9625	0.017	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[4]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[4]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.2825	0.207	2	116.2825	0.043	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[4]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[4]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Se<1>,1|C<3>}	H(CC[6a]N)	116.3215	0.465	2	116.3215	0.216	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.5170	0.000	1	116.5170	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Cd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Cd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	115.2818	0.669	9	115.4912	1.085	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Cd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Cd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	H(CC[6a]N)	115.9625	1.650	4	115.4912	1.085	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.9440	0.452	4	115.9440	0.204	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.1330	0.000	1	116.2286	0.052	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.2525	0.257	4	116.2286	0.052	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.2565	0.284	2	115.8726	0.727	14	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	H(CC[6a]N)	115.6419	0.667	12	115.8726	0.727	14	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.1540	0.000	1	117.3092	0.273	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6344	0.271	7	117.3092	0.273	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	H(CC[6a]N)	117.0667	0.494	3	117.3092	0.273	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	117.1125	0.146	2	117.3092	0.273	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.3350	0.000	1	117.3350	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.5690	0.129	2	115.7178	0.177	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	H(CC[6a]N)	115.7922	0.517	4	115.7178	0.177	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Cd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Cd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.9460	0.000	1	114.9460	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.5355	0.264	2	116.1443	0.494	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3620	0.000	1	116.1443	0.494	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.6835	0.182	2	116.7445	0.030	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.7685	0.306	2	116.7445	0.030	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.7815	0.108	2	116.7445	0.030	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.0730	0.000	1	115.0730	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Mg)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Mg)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.5750	0.000	1	115.5750	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3720	0.000	1	115.3720	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.4100	0.000	1	116.4100	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6,6]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6,6]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.2622	0.412	4	115.2622	0.170	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	114.4480	0.000	1	116.3607	0.571	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.6688	0.618	6	116.3607	0.571	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.3432	0.458	4	116.3607	0.571	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]N)	116.4275	0.269	2	116.3607	0.571	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.2380	0.000	1	116.2380	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	115.4675	0.118	2	115.4675	0.014	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.2560	0.282	4	117.2560	0.080	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.5850	0.600	2	117.0144	0.449	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	117.3617	0.302	11	117.0144	0.449	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	116.1345	0.199	2	117.0144	0.449	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.5725	1.875	2	117.0144	0.449	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.2582	0.485	12	117.0144	0.449	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.3480	0.235	2	117.0144	0.449	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.9790	0.822	2	117.0144	0.449	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Se<1>,1|C<3>}	H(CC[6a]N)	116.0945	0.435	2	117.0144	0.449	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.1894	0.787	8	118.1894	0.619	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	118.0260	0.000	1	118.0260	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.2307	0.980	6	117.0076	1.110	68	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.6756	0.413	5	117.0076	1.110	68	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	116.3113	0.536	4	117.0076	1.110	68	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.2316	1.045	19	117.0076	1.110	68	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.8199	0.937	14	117.0076	1.110	68	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.8315	1.266	20	117.0076	1.110	68	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3443	0.789	12	118.1619	0.859	14	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.0675	1.232	2	118.1619	0.859	14	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Cu)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6323	1.031	3	117.6323	1.062	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.5396	1.508	9	117.5396	2.273	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.5935	0.404	2	117.5935	0.163	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.6845	0.762	2	117.0721	0.323	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.8570	0.235	3	117.0721	0.323	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.3380	0.000	1	117.0721	0.323	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.1495	0.366	2	117.0721	0.323	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6252	0.757	4	116.6252	0.574	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.9260	0.764	2	118.1040	0.286	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.4130	0.000	1	118.1040	0.286	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3658	0.325	4	118.1040	0.286	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ir)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ir)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.9668	0.380	4	116.9535	0.090	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ir)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ir)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	116.9270	0.112	2	116.9535	0.090	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	115.6150	0.578	2	116.9124	0.273	46	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	117.6705	0.084	2	116.9124	0.273	46	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.9165	0.410	30	116.9124	0.273	46	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9698	0.545	8	116.9124	0.273	46	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.9760	0.540	2	116.9124	0.273	46	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	117.0980	0.270	2	116.9124	0.273	46	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.8670	0.150	2	117.2437	0.437	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.9970	0.000	1	117.2437	0.437	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.5875	0.268	2	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	116.3600	0.000	1	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.0447	0.730	3	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.1797	1.776	4	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.8503	1.445	12	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|S<2>}	H(CC[6a]N)	116.1085	0.005	2	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	117.3603	0.403	8	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.4250	0.051	2	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.2934	0.368	5	116.8720	1.106	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Os)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Os)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.1680	0.291	4	117.1680	0.085	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Pd)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Pd)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.9795	0.025	2	117.9795	0.001	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.5157	0.466	8	116.3986	0.314	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.4610	0.000	1	116.3986	0.314	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.4550	0.000	1	119.4550	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	116.9090	0.148	2	116.1515	0.775	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3940	0.091	2	116.1515	0.775	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Re)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Re)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.5670	0.000	1	115.5670	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.6603	0.141	4	117.0012	0.138	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.2265	0.838	2	117.0012	0.138	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1027	0.254	9	117.0012	0.138	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8890	1.403	8	115.8890	1.969	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9965	0.569	4	115.9965	0.324	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Ru)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.4345	0.513	2	116.4345	0.263	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Sc)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Sc)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHN){1|Sc<9>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N)	116.0230	0.000	1	116.0230	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.4960	0.000	1	116.4960	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[5,6a]Zn)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[5,6a]Zn)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.6405	0.037	2	119.6405	0.001	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.1545	0.596	2	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.2010	0.298	2	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	115.9945	0.069	2	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	114.0597	0.529	3	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9800	0.000	1	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|S<2>}	H(CC[6a]N)	116.4560	0.018	2	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	117.2338	0.697	21	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	117.2053	0.348	4	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.3045	0.135	2	116.7721	1.090	39	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[5,6a]Al)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[5,6a]Al)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	120.4150	0.000	1	120.4150	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	117.4973	0.255	3	117.4973	0.065	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.6937	1.327	3	114.6937	1.761	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.8880	1.160	13	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	112.6035	1.193	2	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.5872	0.173	4	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.7966	0.507	19	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9888	0.707	5	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.8710	0.729	4	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.1238	0.622	5	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]N)	117.3520	0.000	1	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	117.6670	0.000	1	116.8019	1.264	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Al)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1570	0.000	1	117.1570	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]B)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]B)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	113.8950	0.000	1	113.8950	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Bi)(H)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Bi)(H)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.5840	0.000	1	119.5840	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ca)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ca)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3787	0.544	3	115.3787	0.296	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ca)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ca)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.1300	0.188	2	116.1300	0.035	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.4338	0.103	4	117.4338	0.011	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	115.6980	0.768	4	115.6980	0.589	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]F)(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	122.8970	0.000	1	122.1502	0.700	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]F)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	122.0008	0.842	5	122.1502	0.700	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.8717	1.665	3	121.4130	2.708	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	121.9543	1.765	3	121.4130	2.708	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]N)	117.5757	0.177	3	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	116.6445	0.265	2	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	117.3740	0.000	1	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.1474	0.650	14	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.6178	0.486	8	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6887	0.785	19	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	115.8110	0.000	1	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.2570	0.011	2	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	H(CC[6a]N)	116.2210	0.000	1	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.0121	0.212	8	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	117.1470	0.000	1	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	117.1950	0.000	1	116.7618	0.499	61	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8792	0.885	4	115.8792	0.784	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]O)2(CHN){3|C<3>}	H(CC[6a]N)	117.0793	0.423	3	117.0793	0.179	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	115.7250	0.549	2	115.7250	0.301	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHN){1|Cr<8>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N)	115.3780	0.634	2	115.3780	0.401	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	120.8631	0.440	8	120.8631	0.194	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.2293	0.128	3	116.2293	0.016	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	116.9090	0.137	2	116.6639	0.179	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.5455	0.499	8	116.6639	0.179	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.8163	0.210	3	116.6639	0.179	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.8975	0.981	2	114.8975	0.962	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	113.2500	0.000	1	113.2500	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[5,6a]Cu)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[5,6a]Cu)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	120.0590	0.000	1	120.0590	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[5,6a]P)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[5,6a]P)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	115.7020	0.000	1	115.7020	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.3733	0.568	3	115.6078	22.515	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	112.8423	5.746	3	115.6078	22.515	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.3225	0.595	4	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	116.5000	0.224	5	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.0709	0.287	23	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.9156	1.129	10	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.7029	0.363	43	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.0330	0.000	1	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.3320	0.000	1	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.8955	0.043	2	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.5030	0.000	1	116.8273	0.277	90	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.4720	0.000	1	115.4720	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Cu)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	118.1647	0.498	4	118.1647	0.248	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.2785	0.183	2	117.2785	0.034	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.5340	0.000	1	121.5340	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	121.4665	0.281	2	121.6547	0.146	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	122.0310	0.000	1	121.6547	0.146	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.6055	0.597	4	121.3016	0.729	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	120.0860	0.000	1	121.3016	0.729	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9620	0.000	1	116.9620	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.1716	0.392	38	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	115.9220	0.091	2	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	117.1120	0.000	1	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N)	117.1578	0.449	33	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	116.8840	0.000	1	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.2608	0.445	132	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.4490	0.334	4	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.0997	0.548	42	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.6600	0.429	6	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.6702	2.448	19	117.1355	0.621	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1510	0.315	2	117.1510	0.099	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.0480	0.644	6	116.0480	0.415	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.6390	0.000	1	117.6390	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.6090	0.000	1	117.4597	0.666	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.1370	0.000	1	117.4597	0.666	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.0340	0.284	2	117.4597	0.666	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	118.0117	0.464	3	117.4597	0.666	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.2943	0.792	23	117.4597	0.666	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	118.1000	0.451	7	117.4597	0.666	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	118.1500	0.000	1	117.4597	0.666	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	115.9180	0.000	1	117.0155	0.737	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.3813	0.550	3	117.0155	0.737	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]N[6a]N)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]N[6a]N)2(CHN){1|C<3>}	H(CC[6a]N)	115.2720	0.000	1	115.2720	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.6200	0.000	1	115.6200	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9997	0.378	7	115.9997	0.143	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	121.4558	0.338	12	121.4558	0.115	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N)	121.7350	0.000	1	121.1589	0.466	36	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	121.6175	0.199	2	121.1589	0.466	36	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	121.8030	0.000	1	121.1589	0.466	36	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	122.0240	0.000	1	121.1589	0.466	36	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.2066	0.686	12	121.1589	0.466	36	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	121.4520	0.178	4	121.1589	0.466	36	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ir)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|Ir<8>,1|C<3>,1|H<1>}	H(CC[6a]N)	120.8423	0.717	15	121.1589	0.466	36	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Li)(H)	C[6a](C[6a]C[5,6a]Cu)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Li)(H)	C[6a](C[6a]C[5,6a]Cu)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.9570	0.000	1	116.9570	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Li)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Li)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	110.4780	0.000	1	115.6707	4.485	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Li)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Li)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.4126	0.311	7	115.6707	4.485	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mg)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mg)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.9983	0.154	3	115.9983	0.024	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.2980	0.264	2	116.8676	0.210	34	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.0553	0.382	4	116.8676	0.210	34	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.0087	0.232	4	116.8676	0.210	34	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.6993	0.156	4	116.8676	0.210	34	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9542	0.383	13	116.8676	0.210	34	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.1222	0.211	5	116.8676	0.210	34	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.4175	0.210	2	116.8676	0.210	34	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.7869	0.272	7	117.4959	0.209	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.0778	0.371	5	117.4959	0.209	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.5140	0.482	3	117.4959	0.209	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.3790	0.049	2	117.3790	0.002	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.9750	0.000	1	116.9750	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	115.2034	0.493	5	115.2034	0.243	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.4259	0.768	12	116.4259	0.589	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	116.5220	0.627	5	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.2662	0.481	8	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]N)	117.2015	0.641	2	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	113.6865	1.795	2	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	115.9048	2.898	17	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	116.8040	0.000	1	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	116.2310	0.000	1	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.9384	0.539	29	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.0315	0.470	16	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6742	0.972	37	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	H(CC[6a]N)	116.7510	0.594	5	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|N<3>}	H(CC[6a]N)	117.1270	0.000	1	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.4859	0.703	7	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	115.8999	1.304	16	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	115.9080	0.000	1	116.5756	1.779	148	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.1475	0.316	2	116.1475	0.100	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8106	0.881	5	115.8106	0.776	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.4780	0.000	1	114.4780	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	121.9140	0.049	2	122.0868	0.174	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	122.2020	0.546	3	122.0868	0.174	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.4210	0.133	2	117.4210	0.018	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.7510	0.000	1	116.7510	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3080	2.150	2	118.3080	4.621	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.8554	1.136	7	117.6907	1.323	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	116.5380	0.000	1	117.6907	1.323	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N)	119.2920	0.000	1	119.2920	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Os)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Os)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1295	0.182	2	117.1295	0.033	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Os)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Os)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.4810	0.000	1	121.4810	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pb)(H)	C[6a](C[6a]C[6a]Pb)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pb)(H)	C[6a](C[6a]C[6a]Pb)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.8150	0.184	2	118.8150	0.034	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	114.9968	0.502	5	114.9968	0.252	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.2872	0.771	6	117.2872	0.595	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.9100	0.000	1	118.1060	0.077	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3020	0.000	1	118.1060	0.077	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.6060	0.000	1	116.2000	0.330	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.7940	0.000	1	116.2000	0.330	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	115.2515	0.049	2	115.6897	0.653	49	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	114.7622	0.395	9	115.6897	0.653	49	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	116.5930	0.197	2	115.6897	0.653	49	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.0903	0.668	9	115.6897	0.653	49	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.0645	0.561	20	115.6897	0.653	49	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	115.0145	0.848	6	115.6897	0.653	49	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.0580	0.000	1	115.6897	0.653	49	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8360	0.361	4	115.8360	0.131	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8095	0.764	2	115.8095	0.584	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.7054	0.352	7	117.7054	0.124	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	120.7310	0.000	1	121.0369	0.338	19	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	120.5750	0.000	1	121.0369	0.338	19	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	121.5400	0.000	1	121.0369	0.338	19	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.0889	0.610	15	121.0369	0.338	19	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]N)	120.5210	0.000	1	121.0369	0.338	19	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.6190	0.000	1	115.6190	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	115.8340	0.386	2	115.9688	0.547	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.5937	1.043	3	115.9688	0.547	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8982	0.685	9	115.9688	0.547	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	115.4835	0.629	2	115.9688	0.547	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8643	0.538	6	115.8643	0.290	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.7580	0.365	6	122.4182	5.477	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	124.9085	1.558	4	122.4182	5.477	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Re)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Re)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.0862	1.408	6	116.0862	1.983	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Re)(H)	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Re)(H)	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.3920	0.000	1	119.3920	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.7711	0.368	7	115.7711	0.135	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3193	0.295	3	115.3193	0.087	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N)	121.8190	0.000	1	121.5989	0.041	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	121.5895	0.087	2	121.5989	0.041	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	121.9090	0.000	1	121.5989	0.041	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.5697	0.163	6	121.5989	0.041	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	121.6560	0.000	1	121.5989	0.041	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Rh)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN){1|Rh<8>,1|C<3>,1|H<1>}	H(CC[6a]N)	121.2060	0.000	1	121.5989	0.041	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.2610	0.000	1	116.1322	0.227	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.2905	0.829	2	116.1322	0.227	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	116.3980	0.000	1	116.1322	0.227	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.3260	0.000	1	116.1322	0.227	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8695	0.208	11	116.1322	0.227	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.6240	0.246	2	116.1322	0.227	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.4320	0.000	1	115.4320	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ru)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.5513	0.350	4	121.5513	0.123	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Sb)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Sb)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.6340	0.377	6	119.8950	0.335	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Sb)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Sb)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	120.6780	0.021	2	119.8950	0.335	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.4337	0.135	3	115.7843	1.319	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	113.4990	0.000	1	115.7843	1.319	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9530	0.117	2	115.7843	1.319	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.3270	0.295	6	119.3270	0.087	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Te)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Te)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.3180	0.000	1	121.3180	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ti)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ti)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.6620	0.000	1	115.7563	0.007	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Ti)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ti)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|O<2>,2|C<3>}	H(CC[6a]N)	115.8035	0.012	2	115.7563	0.007	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]V)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]V)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.4917	0.184	4	116.4917	0.034	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]V)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]V)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.6730	0.000	1	116.4540	0.249	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]V)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]V)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.3345	0.421	10	116.4540	0.249	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]V)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]V)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.4300	0.000	1	116.4540	0.249	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.8720	0.000	1	116.8720	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[5,6a]Zn)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[5,6a]Zn)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.2850	0.136	2	119.2850	0.018	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.4857	0.415	4	116.4857	0.172	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9117	0.324	3	116.9117	0.105	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	115.7760	0.000	1	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.0749	0.447	22	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	116.1976	0.412	5	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.3463	0.515	6	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.5823	0.806	36	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.0233	1.578	31	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	115.7337	2.687	3	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	117.2925	0.544	2	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.9536	0.595	5	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.9230	0.304	3	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.8355	0.234	2	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.3550	0.578	3	116.5061	1.197	119	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.7265	0.029	2	115.7265	0.001	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.9520	0.000	1	114.9520	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	119.0465	0.013	2	119.1522	0.041	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	119.2580	0.277	2	119.1522	0.041	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.0280	0.000	1	115.9310	0.183	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	116.1823	0.247	3	115.9310	0.183	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.1942	0.410	4	115.9310	0.183	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	115.4840	0.042	2	115.9310	0.183	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	115.4260	0.058	2	115.9310	0.183	12	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	118.0365	0.101	2	118.0365	0.010	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Co)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Co)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	122.3800	0.000	1	122.3800	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.0000	0.042	2	117.0000	0.002	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.3794	0.665	15	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.6736	0.309	5	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	116.4352	0.513	6	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	117.5908	0.259	12	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.1758	0.425	32	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.7417	0.438	4	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6935	4.754	53	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|S<2>}	H(CC[6a]N)	116.5057	0.192	3	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	117.0309	0.911	9	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.8960	0.000	1	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.1345	0.485	10	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.7027	0.386	10	116.8948	7.690	160	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoC)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.5720	0.143	2	117.5720	0.020	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.9940	0.000	1	115.9940	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N)	118.1780	0.000	1	118.1780	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.2322	0.343	4	118.2322	0.118	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.9873	0.506	4	117.1864	0.348	14	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	117.8535	0.135	2	117.1864	0.348	14	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1191	0.616	8	117.1864	0.348	14	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.1220	0.000	1	116.9142	1.450	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.8538	1.321	10	116.9142	1.450	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCoO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCoO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.6120	0.052	2	116.9142	1.450	13	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.0803	0.776	3	116.9700	0.864	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.7335	0.094	2	116.9700	0.864	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.4743	0.673	13	116.9700	0.864	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.1300	0.000	1	116.9700	0.864	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|N<3>,2|C<3>}	H(CC[6a]N)	116.3970	0.000	1	116.9700	0.864	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3035	0.565	4	118.3035	0.319	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.5835	0.015	2	118.5835	0.000	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.4470	1.629	4	116.4470	2.654	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	117.2995	0.213	2	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.1765	0.333	12	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	116.3143	0.273	3	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.4029	0.842	17	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	116.5367	0.737	3	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	117.2935	0.029	2	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	117.6690	0.000	1	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	116.9166	0.445	5	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.8573	0.623	57	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	117.1847	0.254	3	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	118.0058	1.244	5	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.3224	1.570	109	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	H(CC[6a]N)	116.5785	0.410	4	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	115.4750	0.075	2	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.6016	0.566	14	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	H(CC[6a]N)	115.5250	1.574	2	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.4480	0.000	1	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.6232	0.733	11	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.5251	0.279	25	116.5817	1.299	278	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6385	0.681	13	117.5874	0.424	19	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|O<2>}	H(CC[6a]N)	116.9995	0.390	2	117.5874	0.424	19	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.7150	0.610	4	117.5874	0.424	19	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.0012	0.871	4	117.0012	0.759	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]S)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuC)(H)	C[6a](C[6a]C[6a]S)2(CHN){3|C<3>}	H(CC[6a]N)	116.0778	0.525	4	116.0778	0.275	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	116.9745	0.183	2	117.4048	0.423	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.8350	0.704	2	117.4048	0.423	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N)	117.4830	0.000	1	117.4830	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	117.7530	0.000	1	117.2165	0.702	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	116.5160	0.300	2	117.2165	0.702	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.0810	0.000	1	117.2165	0.702	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.4540	0.000	1	120.4540	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	113.4810	0.000	1	113.4810	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.6280	0.106	2	117.7053	0.087	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	117.1520	0.000	1	117.7053	0.087	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	117.9950	0.006	2	117.7053	0.087	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.6655	0.076	2	117.7053	0.087	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.6637	0.238	4	117.7053	0.087	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.7589	0.362	7	117.7053	0.087	18	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	117.3705	0.455	2	117.3705	0.207	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.1703	0.297	10	117.1703	0.089	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Fe)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.5990	0.000	1	118.5990	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	126.5830	0.602	2	124.0230	8.869	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	121.4630	0.168	2	124.0230	8.869	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	122.4190	1.232	9	122.4190	1.518	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.4615	0.118	2	118.4615	0.014	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.3561	0.779	17	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.1024	0.413	8	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N)	117.2802	0.288	6	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	117.2102	0.580	9	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.2095	0.498	63	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.6834	0.447	16	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.0417	0.973	119	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	H(CC[6a]N)	116.8830	0.048	2	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.4460	0.218	2	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.1142	0.476	16	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.6978	0.388	6	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	117.6499	0.332	8	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Se<2>,1|C<3>}	H(CC[6a]N)	116.3710	0.000	1	117.0981	0.585	273	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.0100	0.559	9	116.0100	0.312	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6512	0.451	6	116.6512	0.204	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeH)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeH)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	123.1380	0.000	1	123.1380	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N)	117.2620	0.000	1	117.2620	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.1105	1.071	2	117.7306	0.529	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.8270	0.335	4	117.7306	0.529	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.0765	0.080	6	117.7306	0.529	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6983	0.840	24	117.7306	0.529	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.5070	0.444	2	117.7306	0.529	38	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.6872	0.369	6	115.6872	0.136	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9440	0.000	1	116.9440	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NHgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	119.4755	0.708	2	119.4755	0.501	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.2730	0.220	4	116.2730	0.049	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.2601	0.539	8	115.2601	0.290	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.4506	0.384	5	121.4506	0.148	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NIrN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.3680	0.000	1	118.3680	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NIrN)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NIrN)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.7530	0.000	1	121.7530	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMg2)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMg2)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.0330	0.000	1	115.8303	0.043	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMg2)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMg2)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.7290	0.156	2	115.8303	0.043	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.4113	0.392	3	116.7772	0.284	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	116.7400	0.127	2	116.7772	0.284	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.2965	0.175	4	116.7772	0.284	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.8720	0.000	1	116.7772	0.284	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMgC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.8090	0.006	2	116.8090	0.000	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMn2)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMn2)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9670	0.000	1	115.9670	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N)	117.9025	0.197	2	117.9025	0.039	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.2439	0.647	44	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.9871	0.451	18	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	117.8055	0.265	15	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	117.1235	0.424	6	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.1064	0.796	90	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|N<2>,1|O<2>}	H(CC[6a]N)	117.3265	0.688	2	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.5296	2.095	11	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.0008	1.049	108	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	115.2400	0.563	4	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.7827	1.020	9	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.3603	2.259	3	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	117.6120	0.809	2	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.3900	0.000	1	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	117.2925	0.391	2	117.0595	0.931	315	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	113.5400	0.000	1	113.5400	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnC)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.5985	0.040	2	117.5985	0.002	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	117.3675	0.132	2	117.0034	0.371	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9124	0.653	8	117.0034	0.371	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	118.0103	0.932	3	118.0103	0.869	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMo2)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMo2)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	113.0470	0.000	1	113.0470	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.5355	0.479	2	117.1594	0.383	21	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.6030	0.770	7	117.1594	0.383	21	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.3833	0.380	4	117.1594	0.383	21	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	117.4267	0.216	4	117.1594	0.383	21	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	117.4537	0.075	4	117.1594	0.383	21	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHN){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N)	120.4750	0.000	1	120.4750	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.8270	0.892	2	117.8436	0.255	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.0200	0.326	7	117.8436	0.255	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.8100	0.523	44	117.8436	0.255	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.1240	0.000	1	117.8436	0.255	54	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.5730	0.000	1	114.5730	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NMoO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NMoO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.8890	0.000	1	118.8890	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.4700	0.000	1	117.3523	0.643	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	116.7840	0.126	2	117.3523	0.643	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	118.7475	0.303	2	117.3523	0.643	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.8130	1.192	2	117.3523	0.643	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.7175	0.033	2	117.3523	0.643	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNV)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.4347	0.596	7	117.3523	0.643	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5]Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.5535	0.361	4	116.5535	0.130	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN[5a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NN[5a]Ni)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.3930	0.000	1	117.3930	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6547	0.534	7	117.6547	0.285	7	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.1707	0.592	9	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	116.4400	0.000	1	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.7078	0.273	5	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	115.6805	0.780	2	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	117.4693	0.578	9	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	117.4039	0.451	15	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.8443	0.759	75	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	117.0800	0.773	6	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.8400	1.018	25	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.3495	1.752	151	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|I<1>}	H(CC[6a]N)	116.2853	0.301	3	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|N<3>}	H(CC[6a]N)	116.8055	0.176	2	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.6432	0.615	37	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.0064	0.241	7	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,2|C<3>}	H(CC[6a]N)	116.8506	1.276	5	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	117.3113	0.154	3	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.5830	0.486	3	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.5880	0.517	6	116.6553	1.661	364	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.6510	0.000	1	115.6510	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.8909	1.428	11	115.9911	1.120	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.1137	0.283	9	115.9911	1.120	20	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.9887	0.757	3	121.9887	0.573	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]O)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]O)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.0605	0.929	4	117.0605	0.862	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]S)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]S)2(CHN){3|C<3>}	H(CC[6a]N)	114.9540	0.156	2	114.9540	0.024	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.5433	0.510	4	115.5433	0.260	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	115.2990	0.000	1	117.2558	1.737	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6610	0.000	1	117.2558	1.737	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	118.0315	0.120	2	117.2558	1.737	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]2)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]2)2(CHN){2|H<1>,5|C<3>}	H(CC[6a]N)	119.6995	1.945	2	119.6995	3.784	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.0920	0.000	1	119.0920	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.0540	0.000	1	116.7620	0.880	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.4077	0.547	4	116.7620	0.880	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6786	0.979	21	116.7620	0.880	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	115.1990	0.000	1	116.7620	0.880	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.2460	0.000	1	116.7620	0.880	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.7160	0.000	1	116.7620	0.880	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.4030	0.000	1	115.4030	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	111.8130	0.000	1	113.2393	5.207	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	113.4176	2.371	8	113.2393	5.207	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.0457	1.081	3	117.6115	1.159	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	116.7373	0.066	3	117.6115	1.159	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.9950	0.000	1	117.6115	1.159	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.2286	1.015	8	117.6115	1.159	15	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1030	0.000	1	117.1030	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.3535	0.057	2	117.2698	0.574	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.2510	1.083	4	117.2698	0.574	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NNiO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	117.2235	0.691	2	117.2698	0.574	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NOs2)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NOs2)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.4030	0.000	1	117.4030	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NOsC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NOsC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N)	116.1010	0.000	1	116.4044	0.835	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NOsC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NOsC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.1480	0.000	1	116.4044	0.835	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NOsC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NOsC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.4977	1.061	6	116.4044	0.835	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NOsC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NOsC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.2135	0.821	2	115.2135	0.674	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NOsH)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NOsH)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	122.3530	0.000	1	122.3530	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NOsN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NOsN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	118.3120	0.000	1	118.3120	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPd2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPd2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.0300	0.000	1	114.0300	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	115.9154	0.880	5	115.9154	0.775	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	118.0369	0.589	8	118.0369	0.347	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.9460	0.000	2	116.9460	0.000	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	122.0990	0.000	1	122.0990	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.9424	0.326	8	116.9424	0.106	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	115.6568	0.414	4	116.0108	0.743	24	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.0493	0.472	4	116.0108	0.743	24	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.3397	0.816	16	116.0108	0.743	24	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.2905	0.508	4	116.2905	0.258	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9892	0.282	4	115.6081	0.619	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	115.4811	0.867	12	115.6081	0.619	16	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.4603	0.843	11	116.4603	0.710	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	121.3532	0.632	9	121.9490	4.595	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	122.3319	2.670	14	121.9490	4.595	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.6727	0.281	4	115.6727	0.079	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdH)(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdH)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.1450	0.000	2	115.1450	0.000	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){2|C<3>}	H(CC[6a]N)	116.4680	0.000	1	116.4680	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	114.7968	1.992	5	115.8277	2.729	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.8700	0.525	2	115.8277	2.729	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6117	0.805	3	115.8277	2.729	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.5460	0.000	1	115.8277	2.729	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3580	0.000	1	115.3580	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.6594	1.875	5	114.6594	3.517	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9427	1.652	3	115.9427	2.731	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.5060	0.117	2	121.5060	0.014	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6530	0.000	1	117.6530	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1995	1.962	2	117.1995	3.850	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.0105	1.051	2	117.0105	1.106	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.8040	1.783	2	116.8040	3.180	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPdO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	125.9150	0.000	1	125.9150	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	116.8520	0.807	5	116.8520	0.651	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.5460	0.000	1	117.5460	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Pt)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.7890	0.000	1	119.7890	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.7057	0.289	3	117.7057	0.084	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]C)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]C)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9410	2.856	3	115.9410	8.159	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	117.8737	0.584	3	117.8737	0.342	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.7100	0.000	1	117.7100	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.1735	0.643	2	116.1735	0.413	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pt)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	120.5260	0.000	1	120.5260	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.8970	0.000	1	117.8970	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	115.0340	0.000	1	116.2550	1.013	72	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.5820	0.681	3	116.2550	1.013	72	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.2112	0.993	66	116.2550	1.013	72	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.3205	0.230	2	116.2550	1.013	72	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.7042	0.296	9	115.7042	0.087	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.2798	0.470	4	116.2798	0.221	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6450	0.744	2	116.6450	0.553	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]2)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]2)(CHN){2|H<1>,3|C<3>}	H(CC[6a]N)	121.2030	0.000	1	121.2030	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	120.9883	0.366	3	120.9883	0.134	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]F)(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	121.5040	0.000	1	121.5575	0.006	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]F)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]F)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.6110	0.000	1	121.5575	0.006	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.3107	0.483	27	121.3266	0.221	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	121.5410	0.064	2	121.3266	0.221	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	122.0530	0.000	1	122.0530	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.1372	0.189	6	115.1372	0.036	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.5080	0.000	1	115.5080	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	116.7520	0.000	1	116.0462	0.395	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]N)	115.7460	0.000	1	116.0462	0.395	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NPtN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NPtN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.9883	0.652	7	116.0462	0.395	9	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	117.9040	0.465	4	117.9040	0.216	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	117.3663	0.332	4	117.3663	0.110	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.8040	0.721	2	116.2351	0.459	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.1930	0.669	27	116.2351	0.459	29	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.6260	0.000	1	114.6260	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N)	116.6075	1.572	2	116.5063	0.894	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.2495	0.586	4	116.5063	0.894	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReC)(H)	C[6a](C[6a]C[6a]H)2(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.7125	1.168	4	116.5063	0.894	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.8010	0.127	2	117.8010	0.016	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	115.8060	1.425	3	116.3139	2.295	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6186	1.641	5	116.3139	2.295	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NReN)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NReN)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.9720	0.000	1	115.9720	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.1840	0.800	4	117.1840	0.640	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.5129	0.201	8	115.5129	0.040	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.4918	0.267	5	121.4918	0.071	5	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRhN)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRhN)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	122.1307	0.248	3	122.1307	0.062	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	115.8092	0.237	4	115.8092	0.056	4	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N)	115.9150	0.000	1	117.0751	0.695	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.4522	0.539	6	117.0751	0.695	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	115.9730	0.000	1	117.0751	0.695	8	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.6093	0.183	3	116.6093	0.034	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.2500	0.000	1	117.2500	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuC)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.2233	0.795	6	121.2233	0.632	6	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuH)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuH)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.1840	0.000	1	116.1840	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuN)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Ru)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuN)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Ru)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	121.1490	0.000	1	121.1490	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.6067	1.206	3	117.6067	1.453	3	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.3845	1.050	2	115.3845	1.103	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuN)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuN)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.8990	0.000	1	114.8990	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.6125	0.955	2	114.6125	0.913	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NRuS)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NRuS)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.3300	0.000	1	121.3300	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSbC)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSbC)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	120.5440	0.000	1	120.4177	0.124	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSbC)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSbC)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	120.4120	0.360	22	120.4177	0.124	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.6050	0.000	1	116.0713	3.572	22	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.1940	0.386	2	116.0713	3.572	22	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	114.7362	2.888	4	116.0713	3.572	22	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.3382	1.845	13	116.0713	3.572	22	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.7690	0.000	1	116.0713	3.572	22	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	116.4640	0.000	1	116.0713	3.572	22	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	119.9957	0.296	6	120.0687	0.060	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnC)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	120.1783	0.091	4	120.0687	0.060	10	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.5235	0.161	2	116.5682	0.548	32	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.3394	0.430	13	116.5682	0.548	32	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	116.2400	0.000	1	116.5682	0.548	32	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.7298	1.041	13	116.5682	0.548	32	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NSnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.9987	0.127	3	116.5682	0.548	32	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NTeO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NTeO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.4700	0.000	1	121.4700	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NTiC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NTiC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	114.5745	0.342	2	114.5745	0.117	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZn2)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZn2)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.7790	0.000	1	115.7790	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]Cl)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]Cl)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.7385	1.446	2	117.7385	2.091	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.3811	0.854	11	116.3811	0.730	11	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	118.0350	0.426	2	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.6853	0.584	10	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]N)	115.8620	0.134	2	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Br<1>,2|C<3>}	H(CC[6a]N)	116.3140	0.368	2	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]N)	116.0080	0.000	1	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	115.8028	1.013	35	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N)	117.3235	0.742	2	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N)	117.5550	0.000	1	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	116.3167	0.277	12	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	116.2612	0.531	23	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	116.5675	0.042	2	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	115.8902	0.708	12	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.4816	0.620	61	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<4>,2|C<3>}	H(CC[6a]N)	116.2219	0.770	26	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	116.7280	0.461	4	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N)	116.5675	0.837	11	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|H<1>,2|C<3>}	H(CC[6a]N)	116.2275	0.156	2	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	115.8857	0.497	6	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Cl<1>,1|C<3>}	H(CC[6a]N)	116.5385	0.375	13	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	115.9310	0.259	2	116.3019	0.562	229	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N)	121.5500	0.000	1	121.5500	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	115.0610	0.884	2	115.0610	0.781	2	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	117.6020	0.000	1	117.6020	0.000	1	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]N)	117.8720	0.000	1	117.4854	0.338	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N)	117.6183	0.401	9	117.4854	0.338	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	118.4570	0.140	2	117.4854	0.338	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	117.7625	0.185	2	117.4854	0.338	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|C<4>}	H(CC[6a]N)	117.6810	0.000	1	117.4854	0.338	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	117.2830	0.615	19	117.4854	0.338	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	H(CC[6a]N)	117.0550	0.000	1	117.4854	0.338	35	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N)	117.6395	0.663	2	117.0230	0.708	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|C<4>,1|O<3>}	H(CC[6a]N)	117.9300	0.000	1	117.0230	0.708	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N)	117.2580	0.011	2	117.0230	0.708	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]N)	117.1082	0.560	9	117.0230	0.708	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	116.0307	1.957	3	117.0230	0.708	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NZnO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){3|C<3>}	H(CC[6a]N)	116.9565	0.216	6	117.0230	0.708	23	117.0430	2.777	4632	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CN[6]H)	H(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CN[6]H){1|C<3>,2|H<1>}	H(CC[6a]N[6])	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(OGaH)(H)	C[6a](C[6a]C[6a]H)2(CHO)	H(CC[6a]O)	C(C[6a]C[6a]2)(OGaH)(H)	C[6a](C[6a]C[6a]H)2(CHO){1|C<3>,2|H<1>}	H(CC[6a]O)	125.5270	0.000	1	125.5270	0.000	1	125.5270	0.000	1	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]H)	H(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]H){1|C<3>,2|H<1>}	H(CC[6a]N[5])	116.5410	0.000	1	116.5410	0.000	1	112.7886	43.462	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]H)	H(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]H){1|C<3>,2|H<1>}	H(CC[6a]N[5])	115.6540	0.000	1	115.6540	0.000	1	112.7886	43.462	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]H)	H(CC[6a]N[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]H){1|C<3>,2|H<1>}	H(CC[6a]N[5])	99.4455	0.000	1	99.4455	0.000	1	112.7886	43.462	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]H)	H(CC[6a]N[5])	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]H){1|C<3>,2|H<1>}	H(CC[6a]N[5])	115.0303	0.976	3	115.0303	0.952	3	112.7886	43.462	6	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]H)	H(CC[6a]N[5a])	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]H){1|C<3>,2|H<1>}	H(CC[6a]N[5a])	114.8720	0.000	1	114.8720	0.000	1	114.8083	0.306	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]H)	H(CC[6a]N[5a])	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]H){1|C<3>,2|H<1>}	H(CC[6a]N[5a])	114.7870	0.675	3	114.7870	0.456	3	114.8083	0.306	4	116.3671	2.724	12466	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	121.4710	0.000	1	121.4710	0.000	1	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(CCH){3|C<3>}	H(CC[6a]C)	115.6927	0.287	3	115.6927	0.082	3	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	119.9237	3.555	3	119.9237	12.636	3	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	122.7880	0.000	1	122.7880	0.000	1	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]ThN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]ThN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.1720	0.000	1	116.1720	0.000	1	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C)	116.3915	8.101	2	118.7845	29.532	4	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|C<4>}	H(CC[6a]C)	121.1775	0.244	2	118.7845	29.532	4	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]C)	112.8350	0.000	1	112.8350	0.000	1	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	121.8365	0.197	2	121.8365	0.039	2	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C)	121.1560	0.000	1	121.1560	0.000	1	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	122.4990	0.000	1	122.4990	0.000	1	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CIrCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CIrCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	115.1540	0.000	1	115.1540	0.000	1	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CTiCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CTiCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	H(CC[6a]C)	116.7090	0.000	1	116.7090	0.000	1	118.7222	14.083	20	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[6])	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCHH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCHH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N)	106.2730	0.000	1	106.2730	0.000	1	115.1202	53.612	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCHH)(H)	C[6a](C[6a]C[6a]F)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCHH)(H)	C[6a](C[6a]C[6a]F)2(CHN){1|C<3>,2|F<1>}	H(CC[6a]N)	108.2300	0.000	1	108.2300	0.000	1	115.1202	53.612	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N)	118.3490	0.000	1	118.3490	0.000	1	115.1202	53.612	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NCuCC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NCuCC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.5180	0.000	1	121.5180	0.000	1	115.1202	53.612	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NFeCC)(H)	C[6a](C[6a]C[6a]H)2(CHN)	H(CC[6a]N)	C(C[6a]C[6a]2)(NFeCC)(H)	C[6a](C[6a]C[6a]H)2(CHN){1|C<3>,2|H<1>}	H(CC[6a]N)	121.2310	0.000	1	121.2310	0.000	1	115.1202	53.612	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-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)	H(CC[6a]P)	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>}	H(CC[6a]P)	114.0010	0.000	1	114.0010	0.000	1	119.4468	14.622	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CHP)	H(CC[6a]P)	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>}	H(CC[6a]P)	120.8755	4.615	2	120.8755	21.301	2	119.4468	14.622	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHP)	H(CC[6a]P)	C(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHP){1|C<3>,2|H<1>}	H(CC[6a]P)	120.5200	0.000	1	120.5200	0.000	1	119.4468	14.622	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	3:3:3:	3:	C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(PPdCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHP)	H(CC[6a]P)	C(C[6a]C[6a]2)(PPdCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHP){1|C<3>,2|H<1>}	H(CC[6a]P)	120.9620	0.000	1	120.9620	0.000	1	119.4468	14.622	5	117.9240	23.184	31	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	3:4:1:	4:3:3:	3:	C[6a]-3:C-4:H-1:	B[6,6,6a]-4:C[6a,6a]-3:C-3:	C-3:	C(C[6a]B[6,6,6a]C[6a,6a])(CC3)(H)	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH)	H(CC[6a]C)	C(C[6a]B[6,6,6a]C[6a,6a])(CC3)(H)	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH){3|H<1>,4|C<3>,4|C<4>}	H(CC[6a]C)	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	117.0895	3.835	18669	117.0895	3.835	18669
930	643	951	0:SP2_SP-NON_SP2	C	C[6a]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(CC[5]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(CC[5]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5])	116.5700	0.000	1	116.5700	0.000	1	116.5700	0.000	1	116.5700	0.000	1	117.0895	3.835	18669	117.0895	3.835	18669