643	643	957	0:SP2_SP1_SP2	C[6a]	C[6a]	Si	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Si-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-2:	C[6a](C[6a]C[6a]C)2(SiSi)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	Si(C[6a]C[6a]2)(SiC[6a])	C[6a](C[6a]C[6a]C)2(SiSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(SiC[6a])	120.0345	3.818	2	120.0345	14.575	2	120.0345	14.575	2	120.0345	14.575	2	120.5500	5.877	4	120.5500	5.877	4
643	643	957	0:SP2_SP1_SP2	C[6a]	C[6a]	Si	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:Si-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si[5]-3:	C[6a](C[6a]C[6a]C)2(SiSi[5])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a]2)(Si[5]C[5]2)	C[6a](C[6a]C[6a]C)2(SiSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(Si[5]C[5]2)	121.0655	1.412	2	121.0655	1.994	2	121.0655	1.994	2	121.0655	1.994	2	120.5500	5.877	4	120.5500	5.877	4
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6a,6a]-3:C[6,6a]-3:S[6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]OO)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]OO){1|H<1>,2|O<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2{1|H<1>,1|S<4>,5|C<3>}	116.2395	1.606	4	116.2395	2.580	4	116.2395	2.580	4	116.2395	2.580	4	116.2395	2.580	4	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:2:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]N[6]OO){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]Cl)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]Cl)(S[6]N[6]OO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2{1|Cl<1>,2|C<3>,2|N<3>}	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2{1|H<1>,4|C<3>}	113.1930	0.000	1	113.1930	0.000	1	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2{1|H<1>,4|C<3>}	115.7550	0.000	1	115.7550	0.000	1	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{3|C<3>,3|H<1>}	118.9410	0.000	1	119.2532	4.114	4	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	118.0880	0.000	1	119.2532	4.114	4	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,2|H<1>,3|C<3>}	117.7790	0.000	1	119.2532	4.114	4	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,4|C<3>}	122.2050	0.000	1	119.2532	4.114	4	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.6193	0.293	3	120.9342	1.118	5	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.2820	0.000	1	120.9342	1.118	5	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	120.5310	0.000	1	120.9342	1.118	5	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.8190	0.000	1	119.8190	0.000	1	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]I)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,2|C<3>,2|N<3>}	120.8130	0.000	1	120.8130	0.000	1	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,2|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,3|H<1>}	120.1080	0.000	1	120.2690	1.888	11	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,2|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.2170	0.000	1	120.2690	1.888	11	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,2|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,2|H<1>}	118.8890	0.000	1	120.2690	1.888	11	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.2445	2.341	2	120.2690	1.888	11	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<3>,2|C<3>,2|H<1>}	119.8760	0.739	6	120.2690	1.888	11	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.1700	0.000	1	120.1700	0.000	1	119.7757	4.454	25	119.8047	4.298	26	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:2:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]O[6]NO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]O[6]NO){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>}	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O){2|C<3>,2|C<4>,2|H<1>}	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:4:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]CO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]CO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O){1|H<1>,4|C<3>}	119.3920	0.000	1	119.3920	0.000	1	120.2210	1.248	4	120.2210	1.248	4	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:4:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]CO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]CO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O){1|H<1>,4|C<3>}	120.7395	1.573	2	120.7395	2.475	2	120.2210	1.248	4	120.2210	1.248	4	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:4:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]CO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CF3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]CO){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CF3)(O){1|H<1>,4|C<3>}	120.0130	0.000	1	120.0130	0.000	1	120.2210	1.248	4	120.2210	1.248	4	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	115.8493	0.573	6	115.8493	0.329	6	115.8493	0.329	6	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]S[6])(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]S[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(O)2{1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	116.8040	0.000	1	116.8040	0.000	1	115.9090	0.601	3	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]S[6])(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]S[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{1|C<4>,3|C<3>,4|H<1>}	115.4615	0.030	2	115.4615	0.001	2	115.9090	0.601	3	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6,6a]O)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])2(O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6,6a]O)(S[6]N[6]OO){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])2(O){1|O<2>,2|C<3>,2|N<3>,4|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|O<1>,1|O<2>,3|C<3>}	116.7280	0.387	2	116.7280	0.150	2	116.7280	0.150	2	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]OO){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)2{1|H<1>,4|C<3>}	115.6490	0.000	1	115.6490	0.000	1	116.2820	0.801	2	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)2{1|H<1>,1|S<2>,3|C<3>}	116.9150	0.000	1	116.9150	0.000	1	116.2820	0.801	2	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	119.9535	0.658	11	119.9535	0.433	11	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	121.3170	0.000	1	121.3170	0.000	1	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,4|C<3>}	121.3155	1.265	2	121.3155	1.600	2	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,2|C<3>,2|N<2>}	119.5590	0.000	1	119.5590	0.000	1	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	118.7370	1.201	2	120.8755	1.453	111	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	119.5130	0.000	1	120.8755	1.453	111	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	121.0331	0.581	28	120.8755	1.453	111	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	121.2403	0.633	72	120.8755	1.453	111	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	120.2370	0.000	1	120.8755	1.453	111	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|C<3>,2|C<4>,2|H<1>}	117.3190	0.000	1	120.8755	1.453	111	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|H<1>,3|C<3>}	117.8335	1.532	2	120.8755	1.453	111	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	117.1863	1.926	4	120.8755	1.453	111	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{3|C<3>,3|H<1>}	118.6954	0.962	10	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|C<3>,3|H<1>}	116.2220	0.000	1	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{3|C<3>,3|H<1>}	119.7600	0.000	1	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|H<1>,3|C<3>}	118.0100	0.000	1	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|H<1>,3|C<3>}	117.8650	0.000	1	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{2|C<3>,2|C<4>,2|H<1>}	118.9250	0.212	2	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|C<3>,3|H<1>}	117.8560	0.000	1	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{2|C<3>,2|C<4>,2|H<1>}	119.1190	0.000	1	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	120.8293	0.658	12	119.4529	2.068	30	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	119.7510	0.000	1	121.2700	0.789	7	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	121.7680	0.000	1	121.2700	0.789	7	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	120.9995	0.151	2	121.2700	0.789	7	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|H<1>,6|C<3>}	122.6710	0.000	1	121.2700	0.789	7	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	121.3505	0.183	2	121.2700	0.789	7	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|N<3>,2|C<3>,3|H<1>}	115.8820	0.000	1	115.8820	0.000	1	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|N<3>,2|H<1>,3|C<3>}	123.3770	0.000	1	123.3770	0.000	1	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<3>,2|H<1>,3|C<3>}	120.4990	0.045	2	120.4990	0.002	2	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6805	0.293	2	119.6805	0.086	2	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<2>,2|C<3>,3|H<1>}	118.7010	0.000	1	119.6313	1.206	15	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5220	0.000	1	119.6313	1.206	15	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9780	0.000	1	119.6313	1.206	15	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<3>,2|C<3>,3|H<1>}	119.5223	1.052	12	119.6313	1.206	15	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.6460	0.000	1	120.6460	0.000	1	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.7655	0.226	2	120.4219	0.931	7	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	120.7103	1.349	3	120.4219	0.931	7	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	119.6455	0.450	2	120.4219	0.931	7	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|Se<2>,1|H<1>,3|C<3>}	118.1230	0.000	1	118.1230	0.000	1	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,1|N<3>,3|C<3>}	120.5605	2.422	2	120.5605	5.865	2	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)2{1|N<3>,2|H<1>,3|C<3>}	118.3390	0.000	1	118.3390	0.000	1	120.4486	1.897	196	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]N[6]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	120.1746	2.916	210	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:4:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2{1|C<4>,2|C<3>,3|H<1>}	116.6865	0.424	2	116.6865	0.179	2	116.5247	0.176	4	116.5247	0.176	4	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:4:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2{3|H<1>,5|C<3>}	116.3630	0.495	2	116.3630	0.245	2	116.5247	0.176	4	116.5247	0.176	4	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(S[6]N[6,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(S[6]N[6,6]OO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]Br)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Br){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	120.9500	0.000	2	120.9500	0.000	2	120.9500	0.000	2	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl)	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	118.4580	0.000	1	118.4580	0.000	1	118.4580	0.000	1	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[3,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	119.4430	0.153	2	119.4430	0.023	2	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	115.5037	0.782	10	115.5037	0.611	10	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	114.7870	0.337	8	114.7870	0.114	8	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	115.7630	0.281	4	115.7630	0.079	4	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2{1|H<1>,5|C<3>}	115.0505	0.124	2	115.0505	0.015	2	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	116.0640	0.000	1	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|H<1>,6|C<3>}	115.3650	0.000	1	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	116.8615	1.873	2	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|N<3>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	115.4050	0.000	1	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	115.4790	0.000	1	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	117.6779	0.702	8	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	115.9163	0.148	3	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	119.8175	0.687	2	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	118.2880	0.134	2	117.2104	2.070	21	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	115.5205	0.584	4	115.5205	0.341	4	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	117.0690	0.000	1	117.0690	0.000	1	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	120.1460	0.000	1	118.8893	2.057	31	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	119.0078	1.127	24	118.8893	2.057	31	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	118.1276	2.627	5	118.8893	2.057	31	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	118.5980	0.000	1	118.8893	2.057	31	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	118.1940	0.245	2	118.1940	0.060	2	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	116.6830	0.000	2	116.6830	0.000	2	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|O<2>,2|H<1>,4|C<3>}	117.9385	0.360	2	117.9385	0.130	2	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]P[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]P[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|P<4>,2|H<1>,4|C<3>}	118.2913	0.926	4	118.2913	0.857	4	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C[6])(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,1|S<4>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|S<4>,2|H<1>,4|C<3>}	117.9660	0.000	1	117.9660	0.000	1	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|S<4>,2|H<1>,4|C<3>}	117.6855	0.336	2	117.6855	0.113	2	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2{1|H<1>,1|S<4>,5|C<3>}	117.5763	0.483	4	117.5763	0.233	4	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Ir)(H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Ir)(H){1|S<4>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|S<4>,2|H<1>,4|C<3>}	117.4470	0.000	1	117.4470	0.000	1	117.3406	3.250	101	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	117.0900	0.000	1	117.0900	0.000	1	118.5197	4.607	9	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	118.4340	0.000	1	117.9057	0.210	3	118.5197	4.607	9	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<3>,3|C<4>,4|H<1>}	117.6620	0.000	1	117.9057	0.210	3	118.5197	4.607	9	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	117.6210	0.000	1	117.9057	0.210	3	118.5197	4.607	9	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<3>,3|C<4>,4|H<1>}	119.6582	2.968	4	119.6582	8.811	4	118.5197	4.607	9	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	117.2370	0.000	1	117.2370	0.000	1	118.5197	4.607	9	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]I)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	S[6](N[5,6]Ga[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|S<4>,2|C<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	S[6](N[5,6]Ga[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)2{2|O<2>,3|C<3>,3|H<1>,3|N<3>}	118.8265	0.581	2	118.8265	0.337	2	118.8265	0.337	2	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5a,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5a,6]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)2{1|H<1>,6|C<3>}	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	117.5482	3.444	119	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:3:2:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6a]N[6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6a]N[6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[5,6])(O){1|C<4>,3|H<1>,5|C<3>}	118.5700	0.000	1	118.5700	0.000	1	118.5700	0.000	1	118.5700	0.000	1	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6]OO)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6]OO)(C[6a]C[6a]H){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6,6a]	C[6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|H<1>,6|C<3>}	117.8650	0.000	1	117.8650	0.000	1	117.8650	0.000	1	117.8650	0.000	1	119.2322	4.649	368	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:S[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:O-1:	C[6a](C[6a]C[6a]H)2(S[6]N[6]2O)	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)(N[6]C[6])2(O)	C[6a](C[6a]C[6a]H)2(S[6]N[6]2O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	S[6](C[6a]C[6a]2)(N[6]C[6])2(O){1|N<2>,2|H<1>,4|C<3>}	119.5820	2.233	2	119.5820	4.986	2	119.7398	1.983	4	119.7398	1.983	4	119.5151	1.245	34	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:S[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:O-1:	C[6a](C[6a]C[6a]H)2(S[6]N[6]2O)	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)(N[6]P[6])2(O)	C[6a](C[6a]C[6a]H)2(S[6]N[6]2O){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	S[6](C[6a]C[6a]2)(N[6]P[6])2(O){1|N<2>,2|C<3>,2|H<1>,4|O<2>}	119.8975	0.928	2	119.8975	0.862	2	119.7398	1.983	4	119.7398	1.983	4	119.5151	1.245	34	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	4:3:3:	3:3:1:	3:2:3:1:	S[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:O-1:	C[6a](S[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]H)(O)	C[6a](S[6]C[6]N[6]O)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]H)(O){3|H<1>,4|C<3>}	119.3008	1.213	4	119.3008	1.471	4	119.3008	1.471	4	119.3008	1.471	4	119.5151	1.245	34	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	4:3:3:	3:3:1:	3:2:4:1:	S[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6a](S[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O)	C[6a](S[6]C[6]N[6]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O){3|H<1>,5|C<3>}	119.1997	1.070	6	119.1997	1.144	6	119.1833	0.828	20	119.1833	0.828	20	119.5151	1.245	34	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	4:3:3:	3:3:1:	3:2:4:1:	S[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6a](S[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	C[6a](S[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	119.1952	0.809	12	119.1763	0.770	14	119.1833	0.828	20	119.1833	0.828	20	119.5151	1.245	34	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	4:3:3:	3:3:1:	3:2:4:1:	S[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6a](S[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	C[6a](S[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,3|H<1>,4|C<3>}	119.0630	1.669	2	119.1763	0.770	14	119.1833	0.828	20	119.1833	0.828	20	119.5151	1.245	34	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	4:3:3:	3:3:1:	3:3:2:1:	S[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:O-1:	C[6a](S[6]C[6,6a]N[6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[5,6])(O)	C[6a](S[6]C[6,6a]N[6]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[5,6])(O){1|C<4>,3|H<1>,5|C<3>}	119.8695	0.631	2	119.8695	0.399	2	119.8695	0.399	2	119.8695	0.399	2	119.5151	1.245	34	119.2264	4.428	406
643	643	961	0:SP2_SP2_SP3	C[6a]	C[6a]	S[6]	4:3:3:	3:3:1:	3:3:2:2:	S[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a](S[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H)	S[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](S[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]S[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	S[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	120.9870	1.015	4	120.9870	1.031	4	120.9870	1.031	4	120.9870	1.031	4	119.5151	1.245	34	119.2264	4.428	406
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(S[6]N[6,6]OO)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])	S[6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(S[6]N[6,6]OO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	S[6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]S[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,4|H<1>,4|O<1>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	121.9120	0.451	6	121.9120	0.203	6	121.9120	0.203	6	121.9120	0.203	6	121.9120	0.203	6	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<2>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,3|H<1>}	118.4990	0.000	1	119.4503	1.042	3	119.4503	1.042	3	119.3642	0.725	4	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.3230	0.000	1	119.4503	1.042	3	119.4503	1.042	3	119.3642	0.725	4	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,2|H<1>}	120.5290	0.000	1	119.4503	1.042	3	119.4503	1.042	3	119.3642	0.725	4	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|H<1>,2|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	119.1060	0.000	1	119.1060	0.000	1	119.1060	0.000	1	119.3642	0.725	4	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6a]C[6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,2|C<3>,2|N<2>}	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:O[6a]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6,6a]O)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(O[6a]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6,6a]O)(S[6]N[6]OO){1|C<4>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(O[6a]C[6,6a]){1|H<1>,1|N<3>,3|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|O<1>,1|O<2>,3|C<3>}	119.7390	0.489	2	119.7390	0.239	2	119.7390	0.239	2	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<2>,2|C<3>,3|H<1>}	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.6930	0.000	1	117.6930	0.000	1	117.6930	0.000	1	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	117.7750	0.000	1	117.7750	0.000	1	119.0468	1.302	8	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.6270	0.256	2	119.2284	1.211	7	119.0468	1.302	8	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	118.8333	1.047	3	119.2284	1.211	7	119.0468	1.302	8	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	120.4225	0.982	2	119.2284	1.211	7	119.0468	1.302	8	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(Se[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(Se[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|Se<2>,1|H<1>,3|C<3>}	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	119.3076	1.518	14	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2{1|H<1>,4|C<3>}	122.0320	0.000	1	122.0320	0.000	1	122.0320	0.000	1	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2{1|H<1>,4|C<3>}	121.7140	0.000	1	121.7140	0.000	1	121.7140	0.000	1	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<2>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{3|C<3>,3|H<1>}	118.4020	0.000	1	118.4020	0.000	1	118.2827	5.463	3	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	120.5580	0.000	1	118.2230	10.904	2	118.2827	5.463	3	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,4|C<3>}	115.8880	0.000	1	118.2230	10.904	2	118.2827	5.463	3	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.0060	0.000	1	118.5840	1.016	15	118.6331	0.987	16	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	118.9190	0.000	1	118.5840	1.016	15	118.6331	0.987	16	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.3950	0.822	3	118.5840	1.016	15	118.6331	0.987	16	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|I<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,2|C<3>,2|N<3>}	118.0240	0.000	1	118.5840	1.016	15	118.6331	0.987	16	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0925	0.117	2	118.5840	1.016	15	118.6331	0.987	16	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<3>,2|C<3>,2|H<1>}	119.1162	0.947	6	118.5840	1.016	15	118.6331	0.987	16	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.7440	0.000	1	118.5840	1.016	15	118.6331	0.987	16	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]N[6]OO){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|N<2>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.3700	0.000	1	119.3700	0.000	1	118.6331	0.987	16	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]Cl)(S[6]N[6]OO)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]Cl)(S[6]N[6]OO){2|H<1>,3|C<3>}	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2{1|Cl<1>,2|C<3>,2|N<3>}	121.2160	0.000	1	121.2160	0.000	1	121.2160	0.000	1	118.9973	2.423	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:4:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:C-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]CO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O){1|H<1>,4|C<3>}	116.5990	0.000	1	116.5990	0.000	1	116.2213	0.925	3	116.4177	0.771	4	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:4:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:C-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]CO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O){1|H<1>,4|C<3>}	116.0325	1.279	2	116.0325	1.636	2	116.2213	0.925	3	116.4177	0.771	4	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:2:4:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:C-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]CO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CF3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]CO){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CF3)(O){1|H<1>,4|C<3>}	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	116.4177	0.771	4	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]OO){1|Br<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)2{1|H<1>,4|C<3>}	121.3920	0.000	1	121.3920	0.000	1	121.3920	0.000	1	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	118.4203	0.575	11	118.4203	0.331	11	118.4203	0.331	11	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	116.5110	0.000	1	116.5110	0.000	1	116.5110	0.000	1	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,4|C<3>}	116.8795	0.647	2	116.8795	0.419	2	116.8795	0.419	2	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|S<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)2{1|H<1>,1|S<2>,3|C<3>}	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|H<1>,3|C<3>}	118.9550	1.208	2	119.9717	3.108	6	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	120.4800	1.913	4	119.9717	3.108	6	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	116.6670	0.000	1	116.6670	0.000	1	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	117.2920	0.000	1	116.3077	0.627	7	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	116.8670	0.257	2	116.3077	0.627	7	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	115.9515	0.513	2	116.3077	0.627	7	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	116.1690	0.000	1	116.3077	0.627	7	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|H<1>,6|C<3>}	115.0560	0.000	1	116.3077	0.627	7	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	119.2710	1.321	2	119.2710	1.745	2	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{3|C<3>,3|H<1>}	119.4402	0.863	10	119.4402	0.745	10	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	119.3540	0.000	1	116.8841	0.427	100	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	116.8594	0.593	28	116.8841	0.427	100	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	116.8590	0.617	71	116.8841	0.427	100	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{3|C<3>,3|H<1>}	119.0550	0.000	1	117.4653	0.580	12	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	117.3207	0.602	11	117.4653	0.580	12	117.2579	1.441	138	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|N<3>,2|C<3>,3|H<1>}	122.2090	0.000	1	122.2090	0.000	1	118.9352	1.881	20	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.8265	0.647	2	118.8265	0.419	2	118.9352	1.881	20	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.8860	0.000	1	118.9838	0.657	16	118.9352	1.881	20	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.2610	0.000	1	118.9838	0.657	16	118.9352	1.881	20	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<3>,2|C<3>,3|H<1>}	119.3215	0.504	12	118.9838	0.657	16	118.9352	1.881	20	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<3>,2|H<1>,3|C<3>}	118.3680	0.096	2	118.9838	0.657	16	118.9352	1.881	20	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|N<3>,2|H<1>,3|C<3>}	115.1020	0.000	1	115.1020	0.000	1	118.9352	1.881	20	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)2{1|N<3>,2|H<1>,3|C<3>}	120.7700	0.000	1	120.7700	0.000	1	120.7700	0.000	1	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,1|N<3>,3|C<3>}	119.6545	2.254	2	119.6545	5.078	2	119.6545	5.078	2	117.6047	1.992	177	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2{3|H<1>,5|C<3>}	121.9760	0.324	2	121.9760	0.105	2	121.9760	0.105	2	121.9760	0.105	2	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:2:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,2|H<1>,3|C<3>}	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:2:2:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:N-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]O[6]NO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]O[6]NO){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O){2|C<3>,2|C<4>,2|H<1>}	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|C<3>,3|H<1>}	120.7360	0.000	1	120.7360	0.000	1	120.6117	1.669	7	120.7216	1.534	11	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{2|C<3>,2|C<4>,2|H<1>}	119.3870	0.257	2	119.7280	0.382	3	120.6117	1.669	7	120.7216	1.534	11	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|H<1>,3|C<3>}	120.4100	0.000	1	119.7280	0.382	3	120.6117	1.669	7	120.7216	1.534	11	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|C<3>,3|H<1>}	122.3320	0.373	2	122.3320	0.139	2	120.6117	1.669	7	120.7216	1.534	11	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|H<1>,3|C<3>}	119.6980	0.000	1	119.6980	0.000	1	120.6117	1.669	7	120.7216	1.534	11	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:3:1:1:	C[6a,6a]-3:C[6,6a]-3:S[6]-4:	C[6a,6a]-3:C[6,6a]-3:S[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]OO)	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]OO)	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]OO){1|H<1>,2|O<1>,6|C<3>}	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]OO){1|H<1>,2|O<1>,6|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2{1|H<1>,1|S<4>,5|C<3>}	120.9140	1.302	4	120.9140	1.696	4	120.9140	1.696	4	120.7216	1.534	11	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:3:4:	3:4:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2{1|C<4>,2|C<3>,3|H<1>}	122.2360	1.054	2	122.2360	1.110	2	122.2360	1.110	2	122.2360	1.110	2	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:4:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(O)2{1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	120.1620	0.000	1	120.1620	0.000	1	120.1620	0.000	1	120.2260	0.837	3	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:4:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{2|C<3>,2|C<4>,2|H<1>}	119.3450	0.000	1	119.3450	0.000	1	120.2580	1.667	2	120.2260	0.837	3	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	3:4:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|C<3>,2|C<4>,2|H<1>}	121.1710	0.000	1	121.1710	0.000	1	120.2580	1.667	2	120.2260	0.837	3	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:3:4:	4:3:3:	3:3:1:1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]S[6])(C[6a]C[5,6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(S[6]N[5,6]OO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]S[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{1|C<4>,3|C<3>,4|H<1>}	121.0990	0.226	2	121.0990	0.051	2	121.0990	0.051	2	121.0990	0.051	2	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(S[6]N[5a,6]OO)(N[6a]C[6a])	C[6,6a](C[6,6a]C[5a,6,6a]N[6a])(C[6,6a]N[6a]S[6])(C[6a]C[6a]H)	S[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]N[6a])(O)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(S[6]N[5a,6]OO)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6,6a]N[6a])(C[6,6a]N[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	S[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]N[6a])(O)2{6|C<3>}	123.8620	0.000	1	123.8620	0.000	1	123.8620	0.000	1	120.6944	5.161	9	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2{1|H<1>,5|C<3>}	122.9205	0.658	2	122.9205	0.433	2	122.9205	0.433	2	120.6944	5.161	9	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,2|H<1>,4|C<3>}	118.9990	0.000	1	118.8730	0.032	2	118.8730	0.032	2	120.6944	5.161	9	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|H<1>,4|C<3>}	118.7470	0.000	1	118.8730	0.032	2	118.8730	0.032	2	120.6944	5.161	9	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2{4|C<3>}	118.1375	0.221	2	118.1375	0.049	2	118.1375	0.049	2	120.6944	5.161	9	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(O)2{1|N<3>,2|C<3>,2|H<1>}	121.2630	0.686	2	121.2630	0.470	2	121.2630	0.470	2	120.6944	5.161	9	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:2:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(O[6]Ga[5,5,6,6])(C[6a]C[6a]S)	S[6](N[5,6]Ga[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|S<4>,2|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(O[6]Ga[5,5,6,6])(C[6a]C[6a]S){1|C<3>,1|O<2>,2|H<1>,2|O<1>,4|N<3>}	S[6](N[5,6]Ga[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)2{2|O<2>,3|C<3>,3|H<1>,3|N<3>}	119.3430	0.653	2	119.3430	0.427	2	119.3430	0.427	2	119.3430	0.427	2	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	121.3540	0.000	1	121.3540	0.000	1	121.1715	0.067	2	121.5363	1.825	10	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	120.9890	0.000	1	120.9890	0.000	1	121.1715	0.067	2	121.5363	1.825	10	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	121.1580	0.000	1	121.1580	0.000	1	119.6685	4.437	2	121.5363	1.825	10	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.1790	0.000	1	118.1790	0.000	1	119.6685	4.437	2	121.5363	1.825	10	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Br<1>,1|C<4>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	121.6560	0.000	2	121.6560	0.000	2	122.2805	0.270	6	121.5363	1.825	10	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]Br)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	122.7230	0.000	2	122.7230	0.000	2	122.2805	0.270	6	121.5363	1.825	10	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:2:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|O<2>,2|H<1>,4|C<3>}	122.4625	0.337	2	122.4625	0.114	2	122.2805	0.270	6	121.5363	1.825	10	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:2:	3:4:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(O)2	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6]OO)(C[6a]C[6a]H){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|H<1>,6|C<3>}	120.9580	0.000	1	120.9580	0.000	1	121.2561	5.090	10	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	117.5030	0.676	2	117.5030	0.457	2	121.2561	5.090	10	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	121.8230	0.000	1	121.8230	0.000	1	121.2561	5.090	10	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2{1|H<1>,5|C<3>}	123.4030	0.264	2	123.4030	0.070	2	121.2561	5.090	10	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	122.4870	0.000	1	121.9920	1.772	4	121.2561	5.090	10	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|H<1>,6|C<3>}	123.2100	0.000	1	121.9920	1.772	4	121.2561	5.090	10	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	121.1355	1.456	2	121.9920	1.772	4	121.2561	5.090	10	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5a,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	S[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5a,6]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	S[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)2{1|H<1>,6|C<3>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	118.8640	0.000	1	118.6916	0.768	27	118.9958	1.941	33	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	118.7775	0.865	24	118.6916	0.768	27	118.9958	1.941	33	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	117.5755	0.303	2	118.6916	0.768	27	118.9958	1.941	33	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	118.7430	0.129	2	120.3648	5.680	6	118.9958	1.941	33	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	119.2130	0.000	1	120.3648	5.680	6	118.9958	1.941	33	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	121.8300	2.771	3	120.3648	5.680	6	118.9958	1.941	33	119.5220	3.422	44	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:3:3:	3:3:2:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6a]N[6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6a]N[6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[5,6])(O){1|C<4>,3|H<1>,5|C<3>}	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	123.0230	0.467	8	123.0230	0.218	8	123.0230	0.218	8	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	120.3566	0.672	5	120.7538	0.258	21	120.7538	0.258	21	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	121.0760	0.250	4	120.7538	0.258	21	120.7538	0.258	21	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	120.6660	0.433	8	120.7538	0.258	21	120.7538	0.258	21	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	121.0813	0.211	3	120.7538	0.258	21	120.7538	0.258	21	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	121.1710	0.000	1	120.7538	0.258	21	120.7538	0.258	21	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<3>,3|C<4>,4|H<1>}	118.5280	3.536	4	118.5280	12.503	4	118.5280	12.503	4	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|S<4>,2|H<1>,4|C<3>}	123.0740	0.000	1	122.0645	0.513	4	121.8321	0.413	8	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|S<4>,2|H<1>,4|C<3>}	121.4930	0.000	1	122.0645	0.513	4	121.8321	0.413	8	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|S<4>,2|H<1>,4|C<3>}	121.8455	0.310	2	122.0645	0.513	4	121.8321	0.413	8	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	3:4:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2{1|H<1>,1|S<4>,5|C<3>}	121.5998	0.555	4	121.5998	0.308	4	121.8321	0.413	8	121.1898	2.740	41	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	4:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[3,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[3,6]C[6,6a]C[3]2)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<1>,3|C<3>,6|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	118.0955	0.211	2	118.0955	0.045	2	118.0955	0.045	2	120.7718	3.022	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	4:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	120.8470	0.000	1	120.8470	0.000	1	120.8470	0.000	1	120.7718	3.022	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	4:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	122.2776	1.229	10	122.2776	1.511	10	122.2776	1.511	10	120.7718	3.022	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	4:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	119.6600	0.000	1	119.9830	0.200	3	119.9830	0.200	3	120.7718	3.022	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	4:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,6|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<3>,3|C<4>,4|H<1>}	119.7950	0.000	1	119.9830	0.200	3	119.9830	0.200	3	120.7718	3.022	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	4:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	C[6,6a](C[6,6a]C[5,6]C[6a])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	120.4940	0.000	1	119.9830	0.200	3	119.9830	0.200	3	120.7718	3.022	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	4:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	119.3260	0.122	2	119.3260	0.015	2	119.3260	0.015	2	120.7718	3.022	22	118.9718	4.499	373	119.0248	4.569	380
643	643	961	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	S[6]	3:4:3:	4:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]P[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](P[6]C[6,6a]C[6a]Pd)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	C[6,6a](C[6,6a]C[6a]P[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]Pd)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|P<4>,2|H<1>,4|C<3>}	119.6412	0.642	4	119.6412	0.412	4	119.6412	0.412	4	120.7718	3.022	22	118.9718	4.499	373	119.0248	4.569	380
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Ga(C[6a]C[6a]2)3	117.1620	0.610	2	117.1620	0.372	2	117.1620	0.372	2	119.4522	7.256	4	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(GaC[6]N[5])	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(GaC[6]N[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	121.7425	0.646	2	121.7425	0.417	2	121.7425	0.417	2	119.4522	7.256	4	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(GaC[6a]C)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]F)(F)	Ga(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]F)2(GaC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	Ga(C[6a]C[6a]2)2(CH3)	122.3410	1.677	8	122.3410	2.813	8	122.3410	2.813	8	122.7197	9.983	13	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Ga(C[6a]C[6a]2)2(CCHH)	131.1050	0.000	1	131.1050	0.000	1	123.3256	24.282	5	122.7197	9.983	13	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(GaC[6a]C)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(GaC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)2(CH3)	121.3808	2.676	4	121.3808	7.159	4	123.3256	24.282	5	122.7197	9.983	13	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(GaCC)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(H)	Ga(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(GaCC){1|Ga<3>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)(CH3)2	121.9655	1.990	4	121.9655	3.959	4	121.6262	1.690	22	122.0364	5.483	23	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(GaCC)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(GaCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Ga(C[6a]C[6a]2)(CH3)2	122.0465	0.433	4	121.6572	0.952	12	121.6262	1.690	22	122.0364	5.483	23	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(GaCC)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(GaCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)(CH3)2	121.5143	1.676	4	121.6572	0.952	12	121.6262	1.690	22	122.0364	5.483	23	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(GaCC)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(GaCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|Ga<3>,1|C<3>,1|H<1>}	Ga(C[6a]C[6a]2)(CH3)2	121.5665	0.039	2	121.6572	0.952	12	121.6262	1.690	22	122.0364	5.483	23	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(GaCC)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(GaCC){1|Ga<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)(CH3)2	121.2550	0.670	2	121.6572	0.952	12	121.6262	1.690	22	122.0364	5.483	23	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(GaCC)	C[6a](C[6a]C[6a]Ga)2(H)	Ga(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(GaCC){1|Ga<3>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Ga)2(H){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)(CH3)2	121.2687	1.985	4	121.3380	2.434	6	121.6262	1.690	22	122.0364	5.483	23	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(GaCC)	C[6a](C[6a]C[6a]Ga)2(H)	Ga(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(GaCC){1|Ga<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ga)2(H){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)(CH3)2	121.4765	0.537	2	121.3380	2.434	6	121.6262	1.690	22	122.0364	5.483	23	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(H)	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	131.0610	0.000	1	131.0610	0.000	1	131.0610	0.000	1	122.0364	5.483	23	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[5]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H)	Ga(C[5]C[5]2Fe)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[5]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Ga(C[5]C[5]2Fe)2(C[6a]C[6a]2)	131.0783	0.606	3	131.0783	0.367	3	130.8897	0.387	4	130.5450	0.630	6	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[5]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]Si)(H)	Ga(C[5]C[5]2Fe)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[5]2){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]Si)(H){1|C<3>,1|C<4>,1|H<1>}	Ga(C[5]C[5]2Fe)2(C[6a]C[6a]2)	130.3240	0.000	1	130.3240	0.000	1	130.8897	0.387	4	130.5450	0.630	6	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(H)	Ga(C[6]C[6]2Cr)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Ga(C[6]C[6]2Cr)2(C[6a]C[6a]2)	130.3860	0.000	1	130.3860	0.000	1	129.8555	0.563	2	130.5450	0.630	6	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(H)	Ga(C[6]C[6]2Mo)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	Ga(C[6]C[6]2Mo)2(C[6a]C[6a]2)	129.3250	0.000	1	129.3250	0.000	1	129.8555	0.563	2	130.5450	0.630	6	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN)	Ga(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)2(CCHH)	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN)	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(GaC[6]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga-2:C-4:	C[6a](C[6a]C[6a]2)2(GaGaC)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]2)(C[6a]C[6a]H)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C[6a](C[6a]C[6a]2)2(GaGaC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	120.7505	7.879	2	120.7505	62.083	2	120.7505	62.083	2	120.7505	62.083	2	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]2)2(GaC[6a]I)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]2)(C[6a]C[6a]H)	Ga(C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)2(GaC[6a]I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Ga(C[6a]C[6a]2)2(I)	121.0650	0.528	4	121.0650	0.278	4	121.0650	0.278	4	120.5369	5.347	8	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga-3:I-1:	C[6a](C[6a]C[6a]2)2(GaGaI)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]2)(C[6a]C[6a]H)	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	C[6a](C[6a]C[6a]2)2(GaGaI){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Ga(C[6a]C[6a]2)(GaC[6a]I)(I)	120.0087	3.384	4	120.0087	11.454	4	120.0087	11.454	4	120.5369	5.347	8	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CCH)	Ga(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	Ga(C[6a]C[6a]2)3	124.5325	0.530	2	124.5325	0.281	2	124.5325	0.281	2	124.5325	0.281	2	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)2(GaC[6a]C)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]2)(C[6a]C[6a]H)	Ga(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]2)2(GaC[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Ga(C[6a]C[6a]2)2(CCHH)	121.6665	1.501	2	121.6665	2.254	2	121.6665	2.254	2	121.6665	2.254	2	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(GaC[6a]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CC3)	Ga(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(GaC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CC3){1|C<3>,2|C<4>}	Ga(C[6a]C[6a]2)3	120.7725	1.467	2	120.7725	2.153	2	120.7725	2.153	2	120.7725	2.153	2	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[5]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN)	Ga(C[5]C[5]2Fe)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[5]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Ga(C[5]C[5]2Fe)2(C[6a]C[6a]2)	111.6710	0.434	3	111.8727	0.288	4	111.8727	0.288	4	111.9545	0.200	6	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[5]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN)	Ga(C[5]C[5]2Fe)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[5]2){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Ga(C[5]C[5]2Fe)2(C[6a]C[6a]2)	112.4780	0.000	1	111.8727	0.288	4	111.8727	0.288	4	111.9545	0.200	6	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN)	Ga(C[6]C[6]2Cr)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Ga(C[6]C[6]2Cr)2(C[6a]C[6a]2)	111.9490	0.000	1	111.9490	0.000	1	112.1180	0.057	2	111.9545	0.200	6	121.4089	24.074	70	121.4089	24.074	70
643	643	969	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga	3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6]2)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN)	Ga(C[6]C[6]2Mo)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GaC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Ga(C[6]C[6]2Mo)2(C[6a]C[6a]2)	112.2870	0.000	1	112.2870	0.000	1	112.1180	0.057	2	111.9545	0.200	6	121.4089	24.074	70	121.4089	24.074	70
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:I-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-2:O-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(IOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO)	I(C[6a]C[6,6a]C[6a])(OC)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(IOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	I(C[6a]C[6,6a]C[6a])(OC)2	120.9278	0.298	4	120.9278	0.089	4	120.9278	0.089	4	120.9278	0.089	4	120.9278	0.089	4	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H)	I(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H){1|C<3>,1|H<1>}	I(C[6a]C[6a]N[6a])(O)2	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:I-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	I(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	I(C[6a]C[6a]N[6a])(O)2	115.2770	2.183	3	115.2770	4.767	3	115.2770	4.767	3	115.2770	4.767	3	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a]C[6a]H)2(ICl2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(ICl2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(Cl)2	118.1737	0.602	4	118.1737	0.362	4	118.1737	0.362	4	116.4892	10.942	24	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:F-1:F-1:	C[6a](C[6a]C[6a]H)2(IFF)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(F)2	C[6a](C[6a]C[6a]H)2(IFF){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(F)2	118.8355	0.453	6	118.8355	0.206	6	118.8355	0.206	6	116.4892	10.942	24	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(O)2	111.9670	1.358	3	115.1003	7.410	8	115.0024	13.401	14	116.4892	10.942	24	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(O)2	116.9802	0.515	5	115.1003	7.410	8	115.0024	13.401	14	116.4892	10.942	24	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)(O)2	118.1460	0.000	1	118.1460	0.000	1	115.0024	13.401	14	116.4892	10.942	24	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)(O)2	123.3020	0.000	1	123.3020	0.000	1	115.0024	13.401	14	116.4892	10.942	24	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|S<4>}	I(C[6a]C[6a]2)(O)2	111.9458	1.429	4	111.9458	2.041	4	115.0024	13.401	14	116.4892	10.942	24	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(OH)(O)	122.0760	0.000	1	122.0760	0.000	1	122.0760	0.000	1	122.0760	0.000	1	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6,6a]C[6a])(OC)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(IOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	I(C[6a]C[6,6a]C[6a])(OC)2	116.1580	0.642	4	116.1580	0.412	4	116.1580	0.412	4	118.3033	1.613	38	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IOO){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(OC)(OI)	117.5335	0.786	2	117.5335	0.617	2	118.5556	1.147	34	118.3033	1.613	38	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(IOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(IOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OC)2	117.4857	0.633	3	117.4857	0.401	3	118.5556	1.147	34	118.3033	1.613	38	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OC)(OI)	118.6313	1.189	16	118.6313	1.415	16	118.5556	1.147	34	118.3033	1.613	38	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OC)2	118.0595	0.825	2	118.5362	0.427	5	118.5556	1.147	34	118.3033	1.613	38	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(IOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OC)2	118.8540	0.367	3	118.5362	0.427	5	118.5556	1.147	34	118.3033	1.613	38	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OI)(OS)	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OI)(OS)	118.0615	0.968	2	118.0615	0.937	2	118.5556	1.147	34	118.3033	1.613	38	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OI)2	C[6a](C[6a]C[6a]H)2(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OI)2	119.4105	0.646	6	119.4105	0.417	6	118.5556	1.147	34	118.3033	1.613	38	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(IN[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(N[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(IN[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(N[6]C[6]2)2	118.3162	0.178	4	118.3162	0.032	4	118.3162	0.032	4	118.3162	0.032	4	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(O)2	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(O)2	121.2584	0.549	5	121.2584	0.301	5	121.2584	0.301	5	121.0220	0.576	6	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(O)2	119.8400	0.000	1	119.8400	0.000	1	119.8400	0.000	1	121.0220	0.576	6	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OH)(O)	116.2110	0.000	1	116.2110	0.000	1	116.2110	0.000	1	116.2110	0.000	1	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]I)	I(C[6a]C[6a]2)(OC)(OI)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IOO){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]I){1|C<4>,1|I<3>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)(OC)(OI)	118.9865	1.326	2	118.9865	1.758	2	118.9865	1.758	2	118.9865	1.758	2	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC3)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC3){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(O)2	125.6197	0.996	3	125.6197	0.991	3	125.6197	0.991	3	125.8513	2.091	7	118.4708	10.607	88	118.5776	10.397	92
643	643	971	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(IOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SNOO)	I(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(IOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SNOO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(O)2	126.0250	1.851	4	126.0250	3.426	4	126.0250	3.426	4	125.8513	2.091	7	118.4708	10.607	88	118.5776	10.397	92
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6,6a,6a]-3:C[6,6a]-3:Se[6]-2:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(Se[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]Se[6])(C[6]C[6,6]O)	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(Se[6]C[6,6a]){1|C<4>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]Se[6])(C[6]C[6,6]O){1|N<2>,7|C<3>}	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){7|C<3>}	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:2:3:	3:3:1:	3:3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	120.5480	0.000	1	120.5480	0.000	1	120.8378	1.422	5	120.8378	1.422	5	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:2:3:	3:3:1:	3:3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	122.0885	0.009	2	120.9102	1.861	4	120.8378	1.422	5	120.8378	1.422	5	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:2:3:	3:3:1:	3:3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	119.7320	0.177	2	120.9102	1.861	4	120.8378	1.422	5	120.8378	1.422	5	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(Se[6]N[6])	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(F)	Se[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(Se[6]N[6]){1|C<3>,1|F<1>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|N<2>}	Se[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]){1|F<1>,1|N<2>,2|C<3>}	116.7010	0.242	4	116.7010	0.059	4	116.7010	0.059	4	118.3605	1.616	12	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Se[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(Se[6]Se[6])	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(Se[6]Se[6]){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6,6a]){1|H<1>,4|C<3>}	119.1903	0.393	8	119.1903	0.155	8	119.1903	0.155	8	118.3605	1.616	12	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:3:2:	3:3:1:	3:3:	C[6,6a,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:P[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Se[6]P[6])	C[6a](C[6,6a]C[6,6a,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]Se[6]C)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Se[6]P[6]){1|Se<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]Se[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	Se[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]Se[6]C){1|H<1>,3|C<3>}	111.2600	1.017	4	111.2600	1.034	4	111.2600	1.034	4	113.3780	7.892	7	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|Se<2>,1|H<1>,5|C<3>}	116.8930	0.000	1	116.8930	0.000	1	116.2020	1.189	3	113.3780	7.892	7	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,4|C<3>}	116.7680	0.000	1	116.7680	0.000	1	116.2020	1.189	3	113.3780	7.892	7	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]C)(H)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(Se[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,2|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	114.9450	0.000	1	114.9450	0.000	1	116.2020	1.189	3	113.3780	7.892	7	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:3:2:	3:3:1:	3:4:	C[6,6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Se[6]C[5,6])	C[6a](C[6,6a]C[6,6,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Se[6]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]Se[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Se[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,4|C<3>,4|H<1>}	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	117.4920	0.000	1	117.5165	10.381	26	117.5554	10.023	27
643	643	975	0:SP2_SP2_SP3	C[6,6a]	C[6a]	Se[6]	3:3:2:	3:3:1:	4:3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(Se[6]C[5,6])	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H)	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(Se[6]C[5,6]){1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]Se[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.7770	0.000	1	119.7770	0.000	1	119.7770	0.000	1	119.7770	0.000	1	117.5165	10.381	26	117.5554	10.023	27
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6,6a]	Se[6]	3:3:2:	3:3:3:	3:4:	C[6,6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Se[6]C[5,6])	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6])	Se[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(Se[6]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6]){1|C<4>,3|C<3>,5|H<1>}	Se[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,4|C<3>,4|H<1>}	123.7650	0.000	1	123.7650	0.000	1	123.7650	0.000	1	123.7650	0.000	1	123.7650	0.000	1	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6,6a,6a]-3:C[5a,6a]-3:Se[6]-2:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]Se[6])	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a]){1|O<1>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]Se[6]){8|C<3>}	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){7|C<3>}	119.4980	0.000	1	119.4980	0.000	1	119.4980	0.000	1	125.2710	27.617	6	125.2710	27.617	6	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6,6a,6a]-3:C[6,6a]-3:Se[6]-2:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(Se[6]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]Se[6])	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(Se[6]C[6,6a]){1|C<4>,1|O<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]Se[6]){8|C<3>}	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){7|C<3>}	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	125.2710	27.617	6	125.2710	27.617	6	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a,6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6,6a,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:P[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Se[6]P[6])	C[6,6a,6a](C[6,6a]C[6a]Se[6])2(C[6a,6a]C[6a]2)	Se[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]Se[6]C)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(Se[6]P[6]){1|Se<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]Se[6])2(C[6a,6a]C[6a]2){1|P<3>,2|C<3>,4|H<1>}	Se[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]Se[6]C){1|H<1>,3|C<3>}	128.6018	1.061	4	128.6018	1.126	4	128.6018	1.126	4	125.2710	27.617	6	125.2710	27.617	6	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:2:3:	3:3:3:	3:3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	119.4000	0.000	1	119.4000	0.000	1	119.4000	0.000	1	118.9768	1.407	5	120.8823	6.724	21	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:2:3:	3:3:3:	3:3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	117.7090	0.041	2	117.7090	0.002	2	118.8710	1.801	4	118.9768	1.407	5	120.8823	6.724	21	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:2:3:	3:3:3:	3:3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	Se[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(Se[6]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	120.0330	0.031	2	120.0330	0.001	2	118.8710	1.801	4	118.9768	1.407	5	120.8823	6.724	21	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(Se[6]N[6])	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]F)(N[6]S[6])	Se[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(Se[6]N[6]){1|C<3>,1|F<1>,1|H<1>,1|S<2>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]F)(N[6]S[6]){1|C<3>,1|N<2>,2|F<1>}	Se[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]){1|F<1>,1|N<2>,2|C<3>}	124.5907	0.171	4	124.5907	0.029	4	124.5907	0.029	4	124.5907	0.029	4	120.8823	6.724	21	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:Se[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(Se[6]Se[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]Se[6])(C[6a]C[6a]2)	Se[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(Se[6]Se[6]){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]Se[6])(C[6a]C[6a]2){1|Se<2>,2|H<1>,6|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6,6a]){1|H<1>,4|C<3>}	119.3346	0.461	8	119.3346	0.213	8	119.3346	0.213	8	119.3346	0.213	8	120.8823	6.724	21	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]C)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Se<2>,2|C<3>,2|H<1>}	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|Se<2>,1|H<1>,5|C<3>}	121.7720	0.000	1	121.7720	0.000	1	122.2015	0.369	2	122.2015	0.369	2	120.8823	6.724	21	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]N[6]O)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O){1|H<1>,4|C<3>}	122.6310	0.000	1	122.6310	0.000	1	122.2015	0.369	2	122.2015	0.369	2	120.8823	6.724	21	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:3:2:	3:3:3:	4:3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(Se[6]C[5,6])	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(N[6]C[6]C)	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(Se[6]C[5,6]){1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Se[6](C[5,6]Se[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	120.8823	6.724	21	121.9257	13.554	28
643	643	975	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	Se[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(S[6]N[6]OO)	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(Se[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,2|H<1>}	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	126.3600	0.000	1	126.3600	0.000	1	126.3600	0.000	1	126.3600	0.000	1	120.8823	6.724	21	121.9257	13.554	28
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S)	S(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S){1|H<1>,1|O<1>,4|C<3>}	S(C[6a]C[6a,6a]C[6,6a])	116.9240	0.454	2	116.9240	0.206	2	116.9240	0.206	2	116.9240	0.206	2	116.9240	0.206	2	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]S)(C[6a]C[6a]H)	S(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]S)(C[6a]C[6a]H){3|C<3>,3|H<1>}	S(C[6a]C[6a,6a]C[6,6a])	122.7850	0.372	2	122.7850	0.138	2	122.7850	0.138	2	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(C[6a]C[6a]H)	S(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S){1|H<1>,1|S<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	S(C[6a]C[6a,6a]2)	123.2435	0.379	4	123.2435	0.144	4	120.6491	6.343	15	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)2	S(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S){1|H<1>,1|S<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)2{2|S<1>,4|C<3>}	S(C[6a]C[6a,6a]2)	116.6297	0.136	3	118.4391	2.897	7	120.6491	6.343	15	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)2	S(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S){2|S<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)2{2|S<1>,4|C<3>}	S(C[6a]C[6a,6a]2)	119.7963	0.227	4	118.4391	2.897	7	120.6491	6.343	15	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)	S(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S){1|H<1>,1|N<2>,3|C<3>}	S(C[6a]C[6a,6a]2)	120.5060	0.000	1	120.5060	0.000	1	120.6491	6.343	15	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6,6a]H)	S(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6,6a]H){1|N<3>,2|H<1>,3|C<3>}	S(C[6a]C[6a,6a]2)	121.9430	0.000	1	121.9430	0.000	1	120.6491	6.343	15	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H)	S(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S(C[6a]C[6a,6a]2)	123.0780	0.000	1	122.6195	0.420	2	120.6491	6.343	15	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H)	S(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	S(C[6a]C[6a,6a]2)	122.1610	0.000	1	122.6195	0.420	2	120.6491	6.343	15	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:S-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S){1|H<1>,1|S<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,5|C<3>}	S(C[6a]C[6a,6a]N[6a])	122.2535	0.060	2	122.2535	0.004	2	121.3071	1.094	11	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:S-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<4>,1|H<1>,4|C<3>}	S(C[6a]C[6a,6a]N[6a])	120.9895	0.527	2	120.9895	0.278	2	121.3071	1.094	11	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:S-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<4>,1|H<1>,4|C<3>}	S(C[6a]C[6a,6a]N[6a])	120.6100	0.958	5	121.1274	1.406	7	121.3071	1.094	11	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	S	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:S-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<4>,1|H<1>,4|C<3>}	S(C[6a]C[6a,6a]N[6a])	122.4210	0.284	2	121.1274	1.406	7	121.3071	1.094	11	121.0601	4.038	28	121.0601	4.038	28	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	S(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){4|C<3>}	S(C[6a]C[6a]N[6a])	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(S)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)	120.2950	0.000	1	120.2950	0.000	1	120.2950	0.000	1	120.2950	0.000	1	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[5,6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(F)	S(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(F){1|N<3>,1|S<2>,2|N<2>}	S(C[6a]C[6a]2)	123.2573	0.338	3	123.2573	0.114	3	123.2573	0.114	3	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(S)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(S){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(Cl){2|Cl<1>,1|C<3>}	S(C[6a]C[6a]2)	122.3585	2.071	2	122.3585	4.290	2	122.3585	4.290	2	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(S)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(F)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(S){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(F){1|C<3>,1|F<1>,1|P<4>}	S(C[6a]C[6a]2)	123.5285	1.189	2	123.1018	0.431	6	123.2733	0.452	8	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(S)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(F)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(S){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(F){1|C<3>,2|F<1>}	S(C[6a]C[6a]2)	122.8885	0.255	4	123.1018	0.431	6	123.2733	0.452	8	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(S)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]F)(F)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(S){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	S(C[6a]C[6a]2)	123.7875	0.549	2	123.7875	0.302	2	123.2733	0.452	8	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)	114.7870	0.000	1	114.7870	0.000	1	120.8616	4.080	18	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|S<2>}	S(C[6a]C[6a]2)	121.4780	4.171	2	121.4780	17.393	2	120.8616	4.080	18	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,1|N<3>}	S(C[6a]C[6a]2)	120.4060	0.000	1	120.4060	0.000	1	120.8616	4.080	18	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]2)	120.5915	2.845	2	121.2399	0.930	14	120.8616	4.080	18	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<4>}	S(C[6a]C[6a]2)	120.9085	0.202	2	121.2399	0.930	14	120.8616	4.080	18	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)	121.4359	0.528	10	121.2399	0.930	14	120.8616	4.080	18	121.8124	3.908	31	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:S-1:	C[5,6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(S)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC)	S(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(S){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC){1|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[5,6a]C[6a])	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	118.3337	9.042	6	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCu)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SCu){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)	120.9530	0.000	1	120.9530	0.000	1	119.8690	2.350	2	118.3337	9.042	6	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SS)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)	118.7850	0.000	1	118.7850	0.000	1	119.8690	2.350	2	118.3337	9.042	6	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:S-1:	N[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	S(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]N)(S){1|C<3>,1|C<4>,1|S<2>}	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	S(C[6a]C[6a]2)	119.2857	0.388	3	119.2857	0.150	3	119.2857	0.150	3	118.3337	9.042	6	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(COO){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC3)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC3){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)	121.4510	0.091	2	121.4510	0.008	2	121.4510	0.008	2	120.2690	8.535	4	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]P)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2Ni)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]P)(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2Ni){1|Si<4>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	120.2690	8.535	4	121.2950	6.707	44	121.0880	5.948	74
643	643	977	0:SP2_SP-NON_SP2	C[6a]	C[6a]	S	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]P)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SiC3)	S(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]P)(S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SiC3){1|C<3>,1|H<1>,1|P<4>}	S(C[6a]C[6a]2)	115.9240	0.000	1	115.9240	0.000	1	115.9240	0.000	1	120.2690	8.535	4	121.2950	6.707	44	121.0880	5.948	74
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	Si	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:Si-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SiC[6a]Si[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Si)(C[6a]C[6a]H)	Si(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(Si[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SiC[6a]Si[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(Si[5]C[5]2)	121.3815	0.366	2	121.3815	0.134	2	121.3815	0.134	2	120.8852	2.620	4	121.6099	5.353	7	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	Si	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:Si-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SiC[6a]Si[5])	C[6a,6a](C[6a]C[6a,6a]Si)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Si(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(Si[5]C[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SiC[6a]Si[5]){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Si)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Si(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(Si[5]C[5]2)	120.3890	2.596	2	120.3890	6.742	2	120.3890	6.742	2	120.8852	2.620	4	121.6099	5.353	7	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	Si	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a,6a]-3:Si-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:Si[5]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SiSi[5]C)	C[6a,6a](C[6a]C[6a,6a]Si)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	Si(C[6a]C[6a,6a]2)(Si[5]C[5]2)(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(SiSi[5]C){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]Si)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Si(C[6a]C[6a,6a]2)(Si[5]C[5]2)(CC3)	120.7810	0.160	2	120.7810	0.026	2	120.7810	0.026	2	120.7810	0.026	2	121.6099	5.353	7	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	Si	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:Si-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SiCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)2	Si(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SiCC){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)2{2|C<3>,4|H<1>}	Si(C[6a]C[6a,6a]C[6a])(CH3)2	126.1660	0.000	1	126.1660	0.000	1	126.1660	0.000	1	126.1660	0.000	1	121.6099	5.353	7	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-2:	C[6a](C[6a]C[6a]H)2(SiC[6a]P)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)2(SiC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(PC[6a])	120.7900	1.448	2	120.7900	2.097	2	120.7900	2.097	2	120.7900	2.097	2	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SiC[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(SiC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)3	122.0657	3.748	18	122.0657	14.047	18	122.0657	14.047	18	121.9584	11.530	22	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-3:	C[6a](C[6a]C[6a]H)2(SiC[6a]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(SiC[6a]2)	C[6a](C[6a]C[6a]H)2(SiC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(SiC[6a]2)	121.1405	0.125	2	121.1405	0.016	2	121.4755	0.735	4	121.9584	11.530	22	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-3:	C[6a](C[6a]C[6a]H)2(SiC[6a]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)2(SiC[6a]2)	C[6a](C[6a]C[6a]H)2(SiC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Si(C[6a]C[6a]2)2(SiC[6a]2)	121.8105	1.319	2	121.8105	1.739	2	121.4755	0.735	4	121.9584	11.530	22	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]C)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Si(C[6a]C[6a]2)2(CH3)	122.6370	0.000	1	122.6370	0.000	1	122.2772	20.838	5	121.8798	14.660	9	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SiC[6a]C)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)2(CC3)	C[6a](C[6a]C[6a]H)2(SiC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(CC3)	122.1873	5.266	4	122.1873	27.730	4	122.2772	20.838	5	121.8798	14.660	9	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]H)2(SiC[6a]C[3])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)2(C[3]C[3]2H)	C[6a](C[6a]C[6a]H)2(SiC[6a]C[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(C[3]C[3]2H)	121.3830	3.274	4	121.3830	10.717	4	121.3830	10.717	4	121.8798	14.660	9	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SiCC)	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SiCC){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Si)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Si(C[6a]C[6a,6a]C[6a])(CH3)2	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	120.9902	13.433	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SiCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Si)(H)	Si(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SiCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Si)(H){3|C<3>}	Si(C[6a]C[6a]2)(CH3)2	116.1220	0.000	1	116.1220	0.000	1	121.6292	12.982	9	120.9902	13.433	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(SiCC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]H)2(SiCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC3)2	122.3176	3.156	8	122.3176	9.962	8	121.6292	12.982	9	120.9902	13.433	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]H)2(SiSi2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[6a]C[6a]2)(SiC3)2	C[6a](C[6a]C[6a]H)2(SiSi2){1|Si<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(SiC3)2	121.7030	0.000	1	121.7030	0.000	1	121.2645	0.385	2	120.9902	13.433	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]H)2(SiSi2)	C[6a](C[6a]C[6a]Si)2(H)	Si(C[6a]C[6a]2)(SiC3)2	C[6a](C[6a]C[6a]H)2(SiSi2){1|Si<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)2(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(SiC3)2	120.8260	0.000	1	120.8260	0.000	1	121.2645	0.385	2	120.9902	13.433	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SiC[6a]C[5])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H)	Si(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SiC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Si(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	121.2248	1.183	4	121.2248	1.399	4	121.2248	1.399	4	121.2248	1.399	4	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]C)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC)	Si(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SiC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(CH3)	119.9000	0.000	1	119.9000	0.000	1	119.9000	0.000	1	119.9000	0.000	1	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]2)2(SiC[5]H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	Si(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]2)2(SiC[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Si(C[6a]C[6a]2)(C[5]N[5]2)(H)	121.4880	1.516	2	121.4880	2.298	2	121.4880	2.298	2	121.4880	2.298	2	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P-2:	C[6a](C[6a]C[6a]2)2(SiC[5]P)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	Si(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	C[6a](C[6a]C[6a]2)2(SiC[5]P){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Si(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	121.3980	1.229	2	121.3980	1.510	2	121.3980	1.510	2	121.3980	1.510	2	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]2)2(SiC[5]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	Si(C[6a]C[6a]2)(C[5]N[5]2)2	C[6a](C[6a]C[6a]2)2(SiC[5]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Si(C[6a]C[6a]2)(C[5]N[5]2)2	121.5190	11.698	2	121.5190	136.852	2	121.5190	136.852	2	121.5190	136.852	2	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]2)2(SiCC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	Si(C[6a]C[6a]2)(CC3)(CC)	C[6a](C[6a]C[6a]2)2(SiCC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Si(C[6a]C[6a]2)(CC3)(CC)	120.7480	1.195	2	120.7480	1.428	2	120.7480	1.428	2	120.7480	1.428	2	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SiCC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Si)	Si(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SiCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Si){2|H<1>,7|C<3>}	Si(C[6a]C[6a]2)(CH3)2	125.4050	0.000	1	125.4050	0.000	1	125.4050	0.000	1	121.4134	88.627	5	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)2(SiCC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	Si(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)2(SiCC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Si(C[6a]C[6a]2)(CH3)2	107.1870	0.000	1	120.4155	111.531	4	120.4155	111.531	4	121.4134	88.627	5	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)2(SiCC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	Si(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)2(SiCC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|F<1>,4|C<3>}	Si(C[6a]C[6a]2)(CH3)2	124.8250	7.116	3	120.4155	111.531	4	120.4155	111.531	4	121.4134	88.627	5	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:Br-1:	C[6a](C[6a]C[6a]C)2(SiBrSi)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	Si(C[6a]C[6a]2)(SiC[6a]Br)(Br)	C[6a](C[6a]C[6a]C)2(SiBrSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(SiC[6a]Br)(Br)	120.3760	5.757	4	120.3760	33.144	4	120.5003	20.918	6	120.4144	15.046	8	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:Br-1:	C[6a](C[6a]C[6a]C)2(SiBrSi)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	Si(C[6a]C[6a]2)(SiC[6a]C)(Br)	C[6a](C[6a]C[6a]C)2(SiBrSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(SiC[6a]C)(Br)	120.7490	2.230	2	120.7490	4.974	2	120.5003	20.918	6	120.4144	15.046	8	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:H-1:	C[6a](C[6a]C[6a]C)2(SiSiH)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	Si(C[6a]C[6a]2)(SiC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(SiSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)(SiC[6a]H)(H)	120.1565	0.745	2	120.1565	0.554	2	120.1565	0.554	2	120.4144	15.046	8	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-2:	C[6a](C[6a]C[6a]C)2(SiC[6a]P)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a]2)2(PSi)	C[6a](C[6a]C[6a]C)2(SiC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)2(PSi)	121.7940	4.070	4	121.7940	16.563	4	121.7940	16.563	4	121.5872	11.600	6	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:C-2:	C[6a](C[6a]C[6a]C)2(SiSiC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	Si(C[6a]C[6a]2)(SiC[6a]C)(CC)	C[6a](C[6a]C[6a]C)2(SiSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(SiC[6a]C)(CC)	121.1735	2.792	2	121.1735	7.797	2	121.1735	7.797	2	121.5872	11.600	6	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(SiC[6a]C)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a]2)2(CSiC)	C[6a](C[6a]C[6a]C)2(SiC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)2(CSiC)	121.6991	5.081	8	121.6991	25.815	8	121.6991	25.815	8	121.2505	11.405	39	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(SiC[6a]P)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a]2)2(PSiW)	C[6a](C[6a]C[6a]C)2(SiC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)2(PSiW)	121.6520	4.055	4	121.6520	16.442	4	121.6520	16.442	4	121.2505	11.405	39	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Si-3:	C[6a](C[6a]C[6a]C)2(SiC[6a]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH)	Si(C[6a]C[6a]2)2(SiC[6a]2)	C[6a](C[6a]C[6a]C)2(SiC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)2(SiC[6a]2)	120.6287	2.712	6	120.6287	7.356	6	120.9251	5.423	9	121.2505	11.405	39	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Si-3:	C[6a](C[6a]C[6a]C)2(SiC[6a]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH)	Si(C[6a]C[6a]2)2(SiC[6a]Mg)	C[6a](C[6a]C[6a]C)2(SiC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)2(SiC[6a]Mg)	121.5180	1.585	3	121.5180	2.513	3	120.9251	5.423	9	121.2505	11.405	39	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	P[3]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(SiC[6a]P[3])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(P[3]Si[3]C[3])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(SiC[6a]P[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(P[3]Si[3]C[3])(C[6a]C[6a]2)2	121.5558	5.815	4	121.5558	33.809	4	121.5558	33.809	4	121.2505	11.405	39	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:3:	Si-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:Si[5]-3:	C[6a](SiC[5a]Si[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(Si[5]C[5]2)	C[6a](SiC[5a]Si[5])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(Si[5]C[5]2)	120.8180	1.800	6	120.8180	3.240	6	120.8180	3.240	6	121.2505	11.405	39	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:3:	Si-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Si[5]-3:	C[6a](SiC[6a]Si[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(Si[5]C[5]2)	C[6a](SiC[6a]Si[5])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(Si[5]C[5]2)	120.9910	2.237	4	120.9910	5.004	4	121.1389	5.364	8	121.2505	11.405	39	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:3:	Si-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Si[5]-3:	C[6a](SiC[6a]Si[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a]2)2(Si[5]C[5]2)	C[6a](SiC[6a]Si[5])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)2(Si[5]C[5]2)	121.2868	2.730	4	121.2868	7.453	4	121.1389	5.364	8	121.2505	11.405	39	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(SiC[6a]C)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)2(SiC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)2(CH3)	120.8730	1.796	2	120.8730	3.226	2	120.8730	3.226	2	120.7318	6.917	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:C-4:	C[6a](C[6a]C[6a]C)2(SiSiC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	Si(C[6a]C[6a]2)(SiC[6a]Br)(CCHH)	C[6a](C[6a]C[6a]C)2(SiSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(SiC[6a]Br)(CCHH)	120.6195	8.188	2	120.6195	67.037	2	120.6195	67.037	2	120.7318	6.917	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si[5]-3:C-4:	C[6a](C[6a]C[6a]C)2(SiSi[5]C)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH)	Si(C[6a]C[6a]2)(Si[5]C[5]2)(CCCH)	C[6a](C[6a]C[6a]C)2(SiSi[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(Si[5]C[5]2)(CCCH)	120.5725	0.860	4	120.5725	0.740	4	120.5725	0.740	4	120.7318	6.917	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si[5]-3:Si-4:	C[6a](C[6a]C[6a]C)2(SiSi[5]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a]2)(Si[5]C[5]2)(SiC3)	C[6a](C[6a]C[6a]C)2(SiSi[5]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(Si[5]C[5]2)(SiC3)	120.7815	1.484	2	120.7815	2.203	2	120.8768	1.117	4	120.7318	6.917	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si[5]-3:Si-4:	C[6a](C[6a]C[6a]C)2(SiSi[5]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[6a]C[6a]2)(Si[5]C[5]2)(SiSiCC)	C[6a](C[6a]C[6a]C)2(SiSi[5]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(Si[5]C[5]2)(SiSiCC)	120.9720	1.055	2	120.9720	1.113	2	120.8768	1.117	4	120.7318	6.917	12	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(SiC[6a]C[3])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	Si(C[3]Si[3]P[3]C)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(SiC[6a]C[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Si(C[3]Si[3]P[3]C)(C[6a]C[6a]2)2	121.6732	4.873	4	121.6732	23.744	4	121.6732	23.744	4	121.1140	15.780	6	121.2889	13.457	134	121.3048	13.018	141
643	643	979	0:SP2_SP2_SP2	C[6a]	C[6a]	Si	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:Si-3:	C[6a](C[6a]C[6a]C)2(SiC[5]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH)	Si(C[5]C[5]2Fe)(C[6a]C[6a]2)(SiC[6a]C[5])	C[6a](C[6a]C[6a]C)2(SiC[5]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	Si(C[5]C[5]2Fe)(C[6a]C[6a]2)(SiC[6a]C[5])	119.9955	1.979	2	119.9955	3.917	2	119.9955	3.917	2	121.1140	15.780	6	121.2889	13.457	134	121.3048	13.018	141
643	643	980	0:SP2_SP2_SP3	C[6a]	C[6a]	N[4,4]	4:3:3:	3:3:4:	3:3:3:3:	N[4,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:B[4]-3:	C[6a](N[4,4]Ge[4,4]2B[4])(C[6a]C[6a]C)2	C[6a](C[6a]N[4,4]C[6a])(C[6a]C[6a]H)(CH3)	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N)	C[6a](N[4,4]Ge[4,4]2B[4])(C[6a]C[6a]C)2{1|C<3>,1|N<4>,2|H<1>,3|N<3>}	C[6a](C[6a]N[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Ge<3>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N){1|B<3>,2|C<4>,5|C<3>}	120.7635	1.343	2	120.7635	1.803	2	120.7635	1.803	2	120.7635	1.803	2	120.7635	1.803	2	120.9483	0.650	4
643	643	980	0:SP2_SP2_SP3	C[6a]	C[6a]	N[4,6,6]	4:3:3:	3:3:1:	4:4:4:3:	N[4,6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ga[4,6,6]-4:Ga[4,6,6]-4:Ga[4,6]-4:C[6a]-3:	C[6a](N[4,6,6]Ga[4,6,6]2Ga[4,6])(C[6a]C[6a]H)2	C[6a](C[6a]N[4,6,6]C[6a])(C[6a]C[6a]H)(H)	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2)	C[6a](N[4,6,6]Ga[4,6,6]2Ga[4,6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<4>,3|C<4>,3|N<3>}	C[6a](C[6a]N[4,6,6]C[6a])(C[6a]C[6a]H)(H){3|Ga<4>,1|C<3>,2|H<1>}	N[4,6,6](Ga[4,6,6]N[4,6,6]N[4,6]C)2(Ga[4,6]N[4,6]N[6]C)(C[6a]C[6a]2){3|Ga<4>,2|H<1>,7|C<3>}	121.1330	0.102	2	121.1330	0.010	2	121.1330	0.010	2	121.1330	0.010	2	121.1330	0.010	2	120.9483	0.650	4
643	643	981	0:SP2_SP2_SP3	C[6a]	C[6a]	B[3a]	4:3:3:	3:3:4:	3:3:3:3:	B[3a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3a]-3:C[3a]-3:C[6a]-3:C[5]-3:	C[6a](B[3a]C[3a]2C[5])(C[6a]C[6a]C)2	C[6a](C[6a]B[3a]C[6a])(C[6a]C[6a]H)(CH3)	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](B[3a]C[3a]2C[5])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[3a]C[6a])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){4|C<4>,8|C<3>}	121.4840	4.275	2	121.4840	18.277	2	121.4840	18.277	2	121.5060	6.439	4	121.5060	6.439	4	121.5060	6.439	4
643	643	981	0:SP2_SP2_SP3	C[6a]	C[6a]	B[3a]	4:3:3:	3:3:4:	3:3:3:3:	B[3a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[3a]-3:C[3a]-3:C[6a]-3:N[6]-3:	C[6a](B[3a]C[3a]2N[6])(C[6a]C[6a]C)2	C[6a](C[6a]B[3a]C[6a])(C[6a]C[6a]H)(CH3)	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[3a]C[3a]2N[6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]B[3a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){2|C<4>,2|H<1>,8|C<3>}	121.5280	1.018	2	121.5280	1.037	2	121.5280	1.037	2	121.5060	6.439	4	121.5060	6.439	4	121.5060	6.439	4
643	643	982	0:SP2_SP2_SPD5	C[6a]	C[6a]	Ge[3,4,4,3x5,4x6]	5:3:3:	3:3:1:	4:3:3:2:3:	Ge[3,4,4,3x5,4x6]-5:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,5,5,6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:C[6a]-3:	C[6a](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(C[6a]C[6a]H)2	C[6a](C[6a]Ge[3,4,4,3x5,4x6]C[6a])(C[6a]C[6a]H)(H)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(C[6a]C[6a]2)	C[6a](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(C[6a]C[6a]H)2{1|Ge<4>,1|Ge<5>,2|Ge<3>,1|C<3>,2|H<1>}	C[6a](C[6a]Ge[3,4,4,3x5,4x6]C[6a])(C[6a]C[6a]H)(H){1|Ge<2>,1|Ge<4>,2|Ge<3>,1|C<3>,2|H<1>}	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(C[6a]C[6a]2){1|Sb<3>,2|C<3>,2|H<1>}	121.7680	0.321	2	121.7680	0.103	2	121.7680	0.103	2	121.7680	0.103	2	121.7680	0.103	2	121.7680	0.103	2
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CN)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C(C[6a]C[6,6,6a]2)(N)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CN){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[6,6,6a]2)(N)	120.6395	0.969	4	120.6395	0.939	4	120.6395	0.939	4	120.4610	0.671	6	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	3:4:3:	3:1:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CN)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C(C[6a]C[6,6,6a]C[6a])(N)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|N<3>,2|H<1>,5|C<3>}	C(C[6a]C[6,6,6a]C[6a])(N)	120.1040	0.395	2	120.1040	0.156	2	120.1040	0.156	2	120.4610	0.671	6	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	3:4:3:	3:2:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C(C[6a]C[6,6,6a]2)(CC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C(C[6a]C[6,6,6a]2)(CC[6a])	121.0787	0.370	4	121.0787	0.137	4	121.0787	0.137	4	121.0787	0.137	4	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C(C[6a]C[6,6,6a]2)(CSi)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC){1|C<3>,2|H<1>,6|C<4>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6a]C[6,6,6a]2)(CSi)	120.8765	1.643	2	121.0587	1.030	6	121.0587	1.030	6	120.9506	1.035	16	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C(C[6a]C[6,6,6a]2)(CSi)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC){2|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6,6,6a]2)(CSi)	120.9400	0.781	2	121.0587	1.030	6	121.0587	1.030	6	120.9506	1.035	16	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C(C[6a]C[6,6,6a]2)(CSi)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC){2|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6a]C[6,6,6a]2)(CSi)	121.3595	1.251	2	121.0587	1.030	6	121.0587	1.030	6	120.9506	1.035	16	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6,6a]-3:C[6a]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6,6,6a]C[6a])(CSi)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[6,6,6a]C[6a])(CSi)	120.0035	1.344	2	120.0035	1.807	2	120.8858	1.141	10	120.9506	1.035	16	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6,6a]-3:C[6a]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6,6,6a]C[6a])(CC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C(C[6a]C[6,6,6a]C[6a])(CC[6a])	120.8250	1.570	2	120.8250	2.464	2	120.8858	1.141	10	120.9506	1.035	16	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6,6a]-3:C[6a]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6,6,6a]C[6a])(CSi)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6,6,6a]C[6a])(CSi)	120.5700	1.286	2	120.5700	1.653	2	120.8858	1.141	10	120.9506	1.035	16	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6,6a]-3:C[6a]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6,6,6a]C[6a])(CC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|O<1>,3|H<1>,4|C<3>}	C(C[6a]C[6,6,6a]C[6a])(CC[6a])	121.5152	0.576	4	121.5152	0.332	4	120.8858	1.141	10	120.9506	1.035	16	120.8573	0.823	26	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]2)(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(CN){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<3>,3|C<3>}	C(C[6a]C[6,6a]2)(N)	116.7770	0.000	1	116.7770	0.000	1	117.9675	2.835	2	118.9772	1.807	6	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]S[6])(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]2)(N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]S[6])(CN){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]C)(O[6]C[6,6a]){1|C<2>,1|S<2>,3|C<3>}	C(C[6a]C[6,6a]2)(N)	119.1580	0.000	1	119.1580	0.000	1	117.9675	2.835	2	118.9772	1.807	6	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]S[6])(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	C(C[6a]C[6,6a]2)(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]S[6])(CN){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[6,6a]2)(N)	117.9710	0.000	1	117.9710	0.000	1	119.0605	2.374	2	118.9772	1.807	6	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]S[6])(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	C(C[6a]C[6,6a]2)(N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6,6a]S[6])(CN){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|O<2>,3|C<3>}	C(C[6a]C[6,6a]2)(N)	120.1500	0.000	1	120.1500	0.000	1	119.0605	2.374	2	118.9772	1.807	6	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(CN){1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|F<1>,1|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	120.0700	0.000	1	120.0700	0.000	1	120.0700	0.000	1	118.9772	1.807	6	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	118.9772	1.807	6	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|P<3>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	120.5830	0.215	2	120.7499	0.650	14	120.7499	0.650	14	120.4873	0.882	20	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	120.5117	0.747	6	120.7499	0.650	14	120.7499	0.650	14	120.4873	0.882	20	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,1|S<1>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	121.0438	0.969	6	120.7499	0.650	14	120.7499	0.650	14	120.4873	0.882	20	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]C[6a])(CC[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[5])	120.2110	0.000	1	120.2110	0.000	1	120.3663	0.680	4	120.4873	0.882	20	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	121.3450	0.000	1	121.3450	0.000	1	120.3663	0.680	4	120.4873	0.882	20	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C(C[6a]C[6,6a]C[6a])(CSi)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(CSi)	119.9545	0.848	2	119.9545	0.719	2	120.3663	0.680	4	120.4873	0.882	20	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a])	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CC){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]C)(O[6]C[6,6a]){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	118.8910	0.396	2	118.8910	0.157	2	118.8910	0.157	2	120.4873	0.882	20	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(CN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C(C[6a]C[6,6a]2)(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(CN){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|O<2>,3|C<3>}	C(C[6a]C[6,6a]2)(N)	122.3260	0.000	1	122.3260	0.000	1	121.3420	1.937	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]S[6])(CN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C(C[6a]C[6,6a]2)(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]S[6])(CN){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|S<2>,3|C<3>}	C(C[6a]C[6,6a]2)(N)	120.3580	0.000	1	120.3580	0.000	1	121.3420	1.937	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a,6a]-3:C-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CN)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[6,6a])(N)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CN){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(N)	122.0110	0.000	1	122.0110	0.000	1	122.0110	0.000	1	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(CN)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(CN){1|C<4>,2|C<3>,2|N<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	120.7740	0.000	1	120.7740	0.000	1	120.7740	0.000	1	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]S)(CN)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]S)(CN){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O){1|C<4>,1|S<2>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	121.0230	0.000	1	121.0230	0.000	1	122.0988	1.276	5	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(CN)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(CN){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	122.3678	1.104	4	122.3678	1.219	4	122.0988	1.276	5	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)(CN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)(CN){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	120.9780	0.000	1	120.9780	0.000	1	121.7317	8.194	14	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(CN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(CN){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	115.3890	0.440	2	115.3890	0.193	2	121.7317	8.194	14	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	C[6,6a](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|N<3>,3|H<1>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	122.5865	0.351	2	122.5865	0.124	2	121.7317	8.194	14	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	123.4121	0.683	7	123.0350	1.054	9	121.7317	8.194	14	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	121.7150	1.071	2	123.0350	1.054	9	121.7317	8.194	14	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN){1|Br<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	123.6280	0.000	1	123.7340	0.022	2	123.7340	0.022	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	123.8400	0.000	1	123.7340	0.022	2	123.7340	0.022	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	123.0530	0.000	1	123.0530	0.000	1	122.3925	0.873	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	121.7320	0.000	1	121.7320	0.000	1	122.3925	0.873	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C(C[6a]C[6,6a]C[6a])(N)	117.5010	0.000	1	117.7335	0.108	2	119.6586	2.918	8	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C(C[6a]C[6,6a]C[6a])(N)	117.9660	0.000	1	117.7335	0.108	2	119.6586	2.918	8	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	119.8945	0.303	2	119.8945	0.092	2	119.6586	2.918	8	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	121.0080	0.000	1	121.0080	0.000	1	119.6586	2.918	8	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|N<3>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	117.8180	0.000	1	117.8180	0.000	1	119.6586	2.918	8	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	121.5330	0.000	1	121.5330	0.000	1	119.6586	2.918	8	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	121.6540	0.000	1	121.6540	0.000	1	119.6586	2.918	8	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	119.2920	0.000	1	119.2920	0.000	1	119.6795	0.300	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CN)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CN){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<2>,1|O<2>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	120.0670	0.000	1	120.0670	0.000	1	119.6795	0.300	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	118.9100	0.000	1	118.9100	0.000	1	118.9100	0.000	1	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[6,6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN){1|C<4>,1|H<1>,1|N<2>,1|N<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(N)	121.3000	0.615	3	121.3000	0.378	3	121.3000	0.378	3	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C(C[6a]C[6a,6a]C[6,6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6,6a])(N)	119.6530	0.569	2	119.6530	0.323	2	119.6530	0.323	2	121.1724	4.539	44	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	124.3650	1.133	2	124.3650	1.283	2	124.3650	1.283	2	121.2629	5.777	8	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	120.0850	1.346	2	120.0850	1.813	2	120.0850	1.813	2	121.2629	5.777	8	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	120.1215	0.088	2	120.1215	0.008	2	120.1215	0.008	2	121.2629	5.777	8	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H){1|C<2>,5|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	121.2629	5.777	8	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	122.8760	0.000	1	122.8760	0.000	1	122.8760	0.000	1	121.2629	5.777	8	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CN)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH){1|C<2>,2|H<1>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	119.0740	0.000	1	119.0740	0.000	1	119.8622	0.918	9	119.8622	0.918	9	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	119.7150	1.240	2	119.6113	0.801	3	119.8622	0.918	9	119.8622	0.918	9	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	119.4040	0.000	1	119.6113	0.801	3	119.8622	0.918	9	119.8622	0.918	9	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(CN){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	118.4460	0.000	1	118.4460	0.000	1	119.8622	0.918	9	119.8622	0.918	9	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]S)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]S)(CN){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<4>}	C(C[6a]C[6,6a]C[6a])(N)	120.6015	0.495	4	120.6015	0.245	4	119.8622	0.918	9	119.8622	0.918	9	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	3:3:4:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<2>,1|O<1>,2|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	121.5260	0.132	2	121.5260	0.017	2	121.5260	0.017	2	121.5260	0.017	2	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	4:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[6,6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(N)	118.7255	0.340	2	118.7255	0.116	2	118.7255	0.116	2	118.7255	0.116	2	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(CB)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6,6a]C[6a])(CB)	122.5653	1.194	4	122.5653	1.427	4	121.2412	3.695	24	121.2412	3.695	24	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6,6a]C[6a])(CC)	120.6672	0.767	4	120.6672	0.589	4	121.2412	3.695	24	121.2412	3.695	24	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	118.3692	0.589	4	118.3692	0.347	4	121.2412	3.695	24	121.2412	3.695	24	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(CH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6,6a]C[6a])(CH)	121.4008	0.194	4	121.4008	0.038	4	121.2412	3.695	24	121.2412	3.695	24	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6,6a]	C	3:3:2:	4:3:3:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6,6a]C[6a])(CSi)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6,6a]C[6a])(CSi)	122.2223	2.023	8	122.2223	4.094	8	121.2412	3.695	24	121.2412	3.695	24	120.8204	3.559	115	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:2:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	120.2840	0.000	1	119.7365	0.179	4	120.0373	0.536	8	120.0373	0.536	8	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:2:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	119.5540	0.261	3	119.7365	0.179	4	120.0373	0.536	8	120.0373	0.536	8	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:2:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	120.3470	0.881	2	120.3470	0.776	2	120.0373	0.536	8	120.0373	0.536	8	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:2:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	120.3290	1.310	2	120.3290	1.715	2	120.0373	0.536	8	120.0373	0.536	8	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])2(CN)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]C)(O[6a]C[6a,6a])	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]O[6a])2(CN){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]C)(O[6a]C[6a,6a]){1|C<2>,1|O<2>,3|C<3>}	C(C[6a]C[6a,6a]2)(N)	119.7155	0.288	8	119.7155	0.083	8	119.7155	0.083	8	118.3899	2.613	21	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(CN)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C)(O[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(CN){1|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C)(O[6a]C[6a]){6|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	117.9430	0.000	1	117.7926	1.059	5	117.7926	1.059	5	118.3899	2.613	21	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(CN)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C)(O[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(CN){6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C)(O[6a]C[6a]){6|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	117.7550	1.184	4	117.7926	1.059	5	117.7926	1.059	5	118.3899	2.613	21	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	120.2240	0.000	1	120.2485	0.001	2	117.4375	3.479	8	118.3899	2.613	21	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	120.2730	0.000	1	120.2485	0.001	2	117.4375	3.479	8	118.3899	2.613	21	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|N<3>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	116.7943	0.532	4	116.7943	0.283	4	117.4375	3.479	8	118.3899	2.613	21	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|N<3>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	115.9130	1.181	2	115.9130	1.394	2	117.4375	3.479	8	118.3899	2.613	21	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a])	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a]){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	122.1330	0.284	2	122.1330	0.081	2	122.2150	0.092	6	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a])	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a]){1|C<2>,1|N<2>,1|S<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	122.2070	0.000	1	122.4420	0.110	2	122.2150	0.092	6	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a])	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a]){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	122.6770	0.000	1	122.4420	0.110	2	122.2150	0.092	6	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a])	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a]){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	122.0700	0.335	2	122.0700	0.112	2	122.2150	0.092	6	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[5,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a])	C(C[6a]C[6a,6a]C[5,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(CC){1|Se<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(CSi)	120.5820	0.416	2	120.5820	0.173	2	120.5820	0.173	2	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a])	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a]){1|C<2>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	118.8510	0.051	2	118.8510	0.003	2	119.7724	1.451	27	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.4405	1.089	17	119.4405	1.185	17	119.7724	1.451	27	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC){2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	120.5728	1.164	6	120.5728	1.355	6	119.7724	1.451	27	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC){2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	121.1145	0.986	2	121.1145	0.973	2	119.7724	1.451	27	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.5760	0.000	1	119.5760	0.000	1	120.2027	0.233	4	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CSi)	120.0820	0.000	1	120.0820	0.000	1	120.2027	0.233	4	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]C[6a])(CH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CH)	120.5765	0.111	2	120.5765	0.012	2	120.2027	0.233	4	120.2339	1.805	39	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	2:3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C-2:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(CC[5x3,5x5,20x6])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(CC[5x3,5x5,20x6])(C[6a]C[6a,6a]2)	119.1055	1.150	2	119.1055	1.324	2	119.1055	1.324	2	119.1055	1.324	2	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(CN)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[5,6a])(N)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(CN){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(N)	119.0540	0.000	1	119.0540	0.000	1	119.0540	0.000	1	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6,6a])(N)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CN){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(N)	118.2070	0.000	1	118.2070	0.000	1	118.2070	0.000	1	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6,6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6,6a])(N)	118.4410	0.117	2	118.4410	0.014	2	117.9390	0.313	7	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6,6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(CN){1|C<4>,1|H<1>,1|N<2>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(N)	117.7167	0.628	3	117.7167	0.395	3	117.9390	0.313	7	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6,6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(N)	117.7705	0.606	2	117.7705	0.367	2	117.9390	0.313	7	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CN)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[6a,6a]2)(N)	122.6750	0.718	6	122.6750	0.516	6	122.6750	0.516	6	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(N)	114.3717	1.080	6	114.3717	1.166	6	117.9968	3.146	40	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(N)	118.7302	0.220	4	118.7302	0.049	4	117.9968	3.146	40	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(N)	114.4850	0.000	1	118.6241	0.825	30	117.9968	3.146	40	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(N)	119.2440	0.926	2	118.6241	0.825	30	117.9968	3.146	40	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a,6a]2)(N)	118.9135	0.940	2	118.6241	0.825	30	117.9968	3.146	40	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(N)	118.6734	0.422	21	118.6241	0.825	30	117.9968	3.146	40	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(N)	118.9260	0.270	2	118.6241	0.825	30	117.9968	3.146	40	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]2)(N)	118.9650	0.117	2	118.6241	0.825	30	117.9968	3.146	40	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN){1|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C){1|C<2>,7|C<3>}	C(C[6a]C[6a,6a]2)(N)	123.3820	0.000	1	123.3820	0.000	1	123.3820	0.000	1	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(CN)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(CN){5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C){2|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.2520	0.198	2	119.2938	0.035	5	120.1577	2.262	7	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.3217	0.216	3	119.2938	0.035	5	120.1577	2.262	7	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(CN)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(CN){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	122.3175	0.609	2	122.3175	0.371	2	120.1577	2.262	7	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(CN)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|O<2>,6|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	123.8120	0.000	1	123.8120	0.000	1	123.8120	0.000	1	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|S<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	124.7910	0.000	1	124.7910	0.000	1	124.4000	0.306	2	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(CN){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,3|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	124.0090	0.000	1	124.0090	0.000	1	124.4000	0.306	2	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CN)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	116.5420	0.844	2	116.5420	0.713	2	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	117.0590	0.000	1	117.0590	0.000	1	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.0143	0.515	4	119.0143	0.265	4	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.5750	0.000	1	119.5750	0.000	1	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	120.3190	0.000	1	120.3190	0.000	1	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	117.5840	0.000	1	117.6527	0.004	3	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	117.6870	0.025	2	117.6527	0.004	3	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	116.6000	0.000	1	116.7790	0.064	2	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	116.9580	0.000	1	116.7790	0.064	2	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	116.3730	0.000	1	116.3730	0.000	1	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	118.8010	0.000	1	118.8010	0.000	1	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	119.0245	0.033	2	119.0245	0.001	2	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	118.8530	0.000	1	118.9020	0.286	3	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	118.3930	0.000	1	118.9020	0.286	3	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	119.4600	0.000	1	118.9020	0.286	3	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.0430	0.000	1	119.0430	0.000	1	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	119.4530	0.000	1	118.9050	0.601	2	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	118.3570	0.000	1	118.9050	0.601	2	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(CN)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(CN){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a,6a]C[6a])(N)	120.1280	0.000	1	120.1280	0.000	1	118.3808	1.444	25	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]2)(CN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]2)(CN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	124.0220	0.000	1	124.0220	0.000	1	124.0220	0.000	1	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN){2|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	118.7240	0.000	1	118.7240	0.000	1	117.9003	1.587	3	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN){2|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	116.4500	0.000	1	116.4500	0.000	1	117.9003	1.587	3	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	118.5270	0.000	1	118.5270	0.000	1	117.9003	1.587	3	118.9347	4.934	97	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[4,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[4,6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[4,6a])(CC)	120.4345	1.008	4	120.4345	1.015	4	119.8570	1.071	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[4,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[4,6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[4,6a])(CC[6a])	119.9390	0.013	2	119.9390	0.000	2	119.8570	1.071	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[4,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[4,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[4,6a])(CSi)	118.6200	0.215	2	118.6200	0.046	2	119.8570	1.071	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[5,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[5,6a]C)	C(C[6a]C[6a,6a]C[5,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(CC){1|Se<2>,1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[5,6a]C){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(CSi)	122.2475	0.267	2	122.2475	0.071	2	122.2475	0.071	2	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	118.6320	0.057	2	118.1788	0.276	4	119.3776	4.010	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	117.7255	0.053	2	118.1788	0.276	4	119.3776	4.010	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6,6a]C){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	117.1660	0.000	1	119.3125	9.215	2	119.3776	4.010	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CC){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6,6a]C){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	121.4590	0.000	1	119.3125	9.215	2	119.3776	4.010	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CC){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6,6a])(CSi)	121.8405	0.368	2	121.8405	0.136	2	119.3776	4.010	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a,6a]2)(CC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a,6a]2)(CC){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	114.4085	0.138	2	114.4085	0.019	2	118.9286	3.569	15	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])2(CC)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[3x6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){6|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.7020	0.000	1	119.7020	0.000	1	118.9286	3.569	15	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])2(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[3x6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.1170	0.000	1	119.1170	0.000	1	118.9286	3.569	15	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.5787	0.598	4	119.5787	0.357	4	118.9286	3.569	15	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){6|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.3590	0.000	1	119.3590	0.000	1	118.9286	3.569	15	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.7698	0.501	6	119.7698	0.251	6	118.9286	3.569	15	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]C)2	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CC){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a,6a]C)2{6|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	122.5630	0.495	4	122.5630	0.245	4	122.5630	0.245	4	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CC)	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CC){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,1|O<2>,5|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	120.5170	0.016	2	120.5170	0.000	2	120.5170	0.000	2	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	123.5480	1.482	4	123.5480	2.195	4	123.5480	2.195	4	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a,6a]2)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a,6a]2)(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,6|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	124.9160	0.625	2	124.9160	0.391	2	124.0850	1.842	4	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,6|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	123.2540	1.540	2	123.2540	2.372	2	124.0850	1.842	4	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CC)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CC){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	117.5232	0.418	4	117.5232	0.175	4	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	118.2360	0.327	2	118.2360	0.107	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	115.7097	1.033	4	115.7097	1.068	4	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.5248	0.671	5	119.5248	0.451	5	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	116.1895	0.694	2	118.7174	2.543	8	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.5600	0.238	6	118.7174	2.543	8	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	116.2530	1.690	2	116.2530	2.856	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	120.8550	0.890	4	120.8550	0.792	4	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(CSi)	121.3279	1.473	15	121.3279	2.171	15	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.2565	0.033	2	119.2565	0.001	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[4a,6a]H)(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.0470	1.290	2	119.0470	1.663	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.5342	1.128	5	119.4978	0.808	10	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.4614	0.736	5	119.4978	0.808	10	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[4,6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[4,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	120.1585	0.483	4	120.1585	0.233	4	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CC)	119.6894	0.319	8	119.6894	0.102	8	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	118.7445	0.040	2	118.8550	0.037	3	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	119.0760	0.000	1	118.8550	0.037	3	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C(C[6a]C[6a,6a]2)(CH)	119.8790	0.000	1	119.8790	0.000	1	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CPt)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CPt)	120.0139	1.043	7	120.0139	1.088	7	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.5513	0.839	44	119.5690	0.656	48	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.7627	0.377	4	119.5690	0.656	48	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]O)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a,6a]O){1|C<2>,1|O<2>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	123.3040	0.109	2	123.3040	0.012	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,1|O<2>,5|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	123.5810	0.588	2	123.5810	0.346	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CAu)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CAu)	119.6990	0.091	2	119.6990	0.008	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC)	119.4557	1.519	4	119.5514	0.617	18	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]2)(CC)	119.5788	0.520	14	119.5514	0.617	18	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[3x6])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[3x6])	119.8295	0.514	2	119.8295	0.264	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[5])	119.8140	1.261	2	119.6421	0.531	8	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[5])	119.7373	0.613	4	119.6421	0.531	8	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]2)(CC[5])	119.2800	0.800	2	119.6421	0.531	8	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[5a])	119.6917	0.343	4	119.6365	0.164	8	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]2)(CC[5a])	119.5812	0.506	4	119.6365	0.164	8	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	117.4135	0.433	2	119.2865	1.996	50	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	115.5468	0.708	4	119.2865	1.996	50	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	118.2150	0.000	1	119.2865	1.996	50	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	119.8048	0.774	26	119.2865	1.996	50	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a])	119.6572	0.694	17	119.2865	1.996	50	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CFe)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CFe)	120.3785	0.063	2	120.2430	0.241	6	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CFe)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CFe)	120.1753	0.618	4	120.2430	0.241	6	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CH)	119.3400	0.571	2	119.3400	0.163	3	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CH)	119.3400	0.000	1	119.3400	0.163	3	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CNi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CNi)	119.8665	0.487	2	119.8665	0.237	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CP)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CP)	119.3503	0.467	4	119.3503	0.218	4	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CPt)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CPt)	120.7157	0.701	3	120.7157	0.491	3	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CRu)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CRu)	120.3388	0.374	6	120.3388	0.140	6	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	116.1600	0.025	2	118.6257	2.940	32	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	115.9148	1.071	6	118.6257	2.940	32	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.4522	0.891	4	118.6257	2.940	32	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.5191	0.678	18	118.6257	2.940	32	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	119.5305	0.482	2	118.6257	2.940	32	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)2	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)2{2|C<2>,4|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	121.5295	0.424	2	121.5295	0.179	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	120.4380	0.057	2	120.4380	0.003	2	119.5098	2.121	281	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a]-3:C[3x6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a,6a]C){8|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	123.5440	0.317	2	123.5440	0.100	2	123.5440	0.100	2	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C){1|C<2>,7|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a])	123.5965	0.590	4	123.5965	0.348	4	123.1800	1.068	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]2)(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC){1|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C){1|C<2>,7|C<3>}	C(C[6a]C[6a,6a]2)(CSi)	122.7635	1.297	4	122.7635	1.681	4	123.1800	1.068	8	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C){2|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	124.2270	0.000	1	124.2270	0.000	1	124.2270	0.000	1	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[5])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5])	121.4680	0.000	1	121.4680	0.000	1	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CAu)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CAu)	120.0620	0.000	1	120.0620	0.000	1	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	121.1820	0.358	2	120.2818	1.423	5	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	119.6817	1.196	3	120.2818	1.423	5	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[5])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5])	120.3540	0.000	1	120.3540	0.000	1	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5a])	119.8590	0.000	1	119.8590	0.000	1	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.4400	0.000	1	120.2871	0.467	8	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.4081	0.639	7	120.2871	0.467	8	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CPt)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CPt)	119.6525	0.794	2	119.6525	0.631	2	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	120.9550	0.000	1	120.9550	0.000	1	120.2854	0.657	20	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C)(CC)	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C)(CC){1|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	118.7365	0.810	2	118.7365	0.656	2	118.7365	0.656	2	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.3862	0.538	4	119.3862	0.290	4	119.3862	0.290	4	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]H)(CC){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,3|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	126.3400	0.000	1	126.3400	0.000	1	126.3400	0.000	1	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(CC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.3310	0.000	2	119.3310	0.000	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[5a])	120.1965	1.291	4	120.1965	1.666	4	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6])	121.6200	0.137	2	121.6200	0.019	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	118.0690	0.000	1	118.0690	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CAu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CAu)	119.6120	0.000	1	119.6120	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.8910	0.000	1	119.8910	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]C){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	123.7302	0.237	4	123.7302	0.056	4	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.7155	0.408	2	119.7155	0.166	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CH)	119.7855	0.203	2	119.7855	0.041	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC)	122.2318	0.182	5	122.2318	0.033	5	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CAu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CAu)	120.4095	0.831	4	120.4095	0.690	4	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC)	119.8444	1.353	5	119.8444	1.831	5	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[5])	118.5020	0.000	1	118.5020	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.8208	1.729	16	119.8208	2.991	16	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CH)	120.2824	0.774	5	120.2824	0.598	5	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CI)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CI)	119.0314	0.687	9	119.0314	0.472	9	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	119.1190	0.369	4	119.8174	0.588	14	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CSi)	120.0968	0.707	10	119.8174	0.588	14	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSn)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CSn)	120.3052	0.906	18	120.3052	0.822	18	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CAu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CAu)	120.1850	0.000	1	120.1850	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC)	119.4100	0.000	1	119.4100	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[5])	119.2700	0.000	1	119.2700	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6])	120.0220	0.000	1	120.0220	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	121.3790	0.000	1	120.2887	0.957	3	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.7435	0.361	2	120.2887	0.957	3	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CFe)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CFe)	119.5800	0.307	2	119.5800	0.094	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CNi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CNi)	120.7350	0.000	1	120.7350	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CRu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CRu)	121.0843	0.327	3	121.0843	0.107	3	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CSi)	120.2580	0.000	1	120.2580	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CSi)	124.5170	0.000	1	124.5170	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC)	123.5927	0.396	3	123.5927	0.157	3	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a,6a]C[6a])(CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CH)	124.3530	0.000	1	124.3530	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CSi)	124.0650	0.000	1	124.0650	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a,6a]C[6a])(CC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[5])	123.0155	0.305	2	123.0155	0.093	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a,6a]C[6a])(CC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6])	124.1125	2.771	2	124.1125	7.679	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)2{2|C<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	124.5597	0.866	4	123.2101	2.409	8	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	121.8605	0.121	4	123.2101	2.409	8	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]C){2|C<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	125.6050	0.000	1	125.6050	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC)	120.2680	0.000	1	120.2680	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[3])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[3])	120.3360	0.291	2	120.3360	0.085	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[5a])	119.6135	1.010	4	119.6135	1.020	4	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.4140	0.373	6	120.3768	0.138	8	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.6080	0.000	1	120.3768	0.138	8	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.9220	0.000	1	120.3768	0.138	8	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CSi)	118.5220	0.000	1	118.5220	0.000	1	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC)	121.2075	0.827	2	121.2075	0.683	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC)	121.6300	0.187	2	121.6300	0.035	2	120.6476	2.981	149	120.0518	3.168	515	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Cu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]Cu)	119.7670	0.000	1	119.7670	0.000	1	119.1037	0.445	3	119.1037	0.445	3	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a,6a]	C	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(NMnC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(NMnC)	118.7720	0.479	2	118.7720	0.230	2	119.1037	0.445	3	119.1037	0.445	3	119.8459	3.487	685	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:1:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	C(C[6a]C[6a]N[6a])(N)	118.0015	0.699	2	118.8730	1.200	4	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|S<2>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|S<2>}	C(C[6a]C[6a]N[6a])(N)	119.7445	0.272	2	118.8730	1.200	4	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|O<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|O<2>}	C(C[6a]C[6a]N[6a])(N)	120.3323	0.361	4	120.3323	0.130	4	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(N)	119.8195	0.309	2	119.8195	0.095	2	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	118.8060	0.000	1	120.3940	1.159	4	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	C(C[6a]C[6a]N[6a])(N)	121.0615	0.023	2	120.3940	1.159	4	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){2|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	C(C[6a]C[6a]N[6a])(N)	120.6470	0.000	1	120.3940	1.159	4	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	C(C[6a]C[6a]N[6a])(N)	119.9015	1.170	13	120.4008	1.566	75	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	120.2601	1.776	9	120.4008	1.566	75	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	C(C[6a]C[6a]N[6a])(N)	121.5769	1.283	9	120.4008	1.566	75	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	120.3366	1.023	44	120.4008	1.566	75	120.3157	1.510	89	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	119.8043	0.960	3	119.8043	0.922	3	119.8043	0.922	3	120.2990	1.488	92	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:2:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	C(C[6a]C[6a]N[6a])(CC[5a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	C(C[6a]C[6a]N[6a])(CC[5a])	119.0480	0.000	1	119.0480	0.000	1	118.9895	0.007	2	118.9895	0.007	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:2:	3:2:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	118.9310	0.000	1	118.9310	0.000	1	118.9895	0.007	2	118.9895	0.007	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	2:3:4:	3:1:	N[6a]-2:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	3:3:1:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	118.9040	0.095	2	118.9040	0.009	2	118.9040	0.009	2	118.9040	0.009	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	3:3:1:	3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[5a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(CC[5a])	119.2120	0.772	2	119.2120	0.596	2	118.9333	0.249	6	118.9333	0.249	6	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	3:3:1:	3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	118.7253	0.423	3	118.7253	0.179	3	118.9333	0.249	6	118.9333	0.249	6	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	2:3:2:	3:3:1:	3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(CH)	119.0000	0.000	1	119.0000	0.000	1	118.9333	0.249	6	118.9333	0.249	6	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	2:3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	C(C[6a]C[6a]N[6a])(N)	123.2640	0.000	1	123.2640	0.000	1	123.2640	0.000	1	121.1520	2.330	4	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	120.4480	0.722	3	120.4480	0.522	3	120.4480	0.522	3	121.1520	2.330	4	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]N[6a])(CC[5a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[5a])	121.8120	0.000	1	121.8120	0.000	1	120.5768	1.223	20	120.5768	1.223	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	119.8750	0.451	2	120.8568	1.374	4	120.5768	1.223	20	120.5768	1.223	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.8385	0.251	2	120.8568	1.374	4	120.5768	1.223	20	120.5768	1.223	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]N[6a])(CI)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CI)	120.3723	1.202	11	120.3772	1.268	13	120.5768	1.223	20	120.5768	1.223	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]N[6a])(CI)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(CI)	120.4045	0.883	2	120.3772	1.268	13	120.5768	1.223	20	120.5768	1.223	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]N[6a])(CPt)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CPt)	120.6965	1.225	2	120.6965	1.502	2	120.5768	1.223	20	120.5768	1.223	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:2:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(N)	120.6019	1.024	20	120.8591	0.805	58	120.8591	0.805	58	120.8627	0.792	59	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:2:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(N)	119.8277	0.214	4	120.8591	0.805	58	120.8591	0.805	58	120.8627	0.792	59	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:2:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|O<2>}	C(C[6a]C[6a]N[6a])(N)	120.4000	0.000	1	120.8591	0.805	58	120.8591	0.805	58	120.8627	0.792	59	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:2:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|S<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|S<2>}	C(C[6a]C[6a]N[6a])(N)	120.9744	0.651	7	120.8591	0.805	58	120.8591	0.805	58	120.8627	0.792	59	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:2:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	121.2022	0.758	26	120.8591	0.805	58	120.8591	0.805	58	120.8627	0.792	59	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:2:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a])	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a]){1|C<3>,1|S<2>}	C(C[6a]C[6a]N[6a])(N)	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	120.8627	0.792	59	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(N)	122.1023	2.578	9	122.1023	6.645	9	121.8976	5.523	11	121.8976	5.523	11	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN){1|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){2|N<2>}	C(C[6a]C[6a]N[6a])(N)	120.9765	0.025	2	120.9765	0.001	2	121.8976	5.523	11	121.8976	5.523	11	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.8665	0.158	2	121.8665	0.025	2	121.5470	0.173	4	121.5470	0.173	4	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.0210	0.000	1	121.0210	0.000	1	121.5470	0.173	4	121.5470	0.173	4	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.4340	0.000	1	121.4340	0.000	1	121.5470	0.173	4	121.5470	0.173	4	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:2:4:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	120.9710	0.000	1	120.9710	0.000	1	120.9710	0.000	1	120.9710	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	119.4040	0.011	2	119.4040	0.000	2	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	118.1760	0.000	1	118.1760	0.000	1	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	120.1508	0.448	4	120.0892	0.875	17	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	119.8990	0.972	2	120.0892	0.875	17	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	C(C[6a]C[6a]N[6a])(N)	120.9640	0.000	1	120.0892	0.875	17	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<3>}	C(C[6a]C[6a]N[6a])(N)	121.7230	0.000	1	120.0892	0.875	17	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	118.7100	0.000	2	120.0892	0.875	17	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	121.6180	0.000	1	120.0892	0.875	17	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	119.6008	0.674	4	120.0892	0.875	17	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(N)	120.4940	0.382	2	120.0892	0.875	17	119.9251	0.951	20	119.9839	0.976	21	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.0173	1.001	4	121.0173	1.003	4	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC)	120.7555	0.127	2	120.3784	0.233	5	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>}	C(C[6a]C[6a]N[6a])(CC)	120.6170	0.000	1	120.3784	0.233	5	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC)	119.8820	0.288	2	120.3784	0.233	5	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6])	119.2070	1.241	17	119.2070	1.541	17	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	120.7123	0.985	23	120.6367	1.065	51	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	120.5498	0.646	4	120.6367	1.065	51	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.1330	0.000	1	120.6367	1.065	51	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	120.5037	1.282	19	120.6367	1.065	51	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	120.8410	0.437	2	120.6367	1.065	51	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	120.7520	0.199	2	120.6367	1.065	51	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CFe)	121.4820	0.399	8	121.0989	0.819	10	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CFe)	119.1270	0.000	1	121.0989	0.819	10	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CFe)	120.0060	0.000	1	121.0989	0.819	10	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CGe[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CGe[5])	120.8840	1.038	2	120.8840	1.078	2	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CH)	120.8040	0.184	2	120.9540	0.700	6	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CH)	119.4930	0.000	1	120.9540	0.700	6	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CH)	121.6190	0.464	2	120.9540	0.700	6	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a]N[6a])(CH)	121.3850	0.000	1	120.9540	0.700	6	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CPt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CPt)	121.6343	1.332	3	121.1734	1.349	5	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CPt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CPt)	120.4820	0.505	2	121.1734	1.349	5	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CRh)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CRh)	120.5110	0.000	1	120.5110	0.000	1	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CRu)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CRu)	119.9780	0.000	1	119.9780	0.000	1	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CSi)	120.4940	0.000	1	119.9877	0.901	10	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CSi)	119.9314	0.989	9	119.9877	0.901	10	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC)	119.7150	1.713	2	119.7150	2.933	2	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6])	119.6795	0.303	2	119.6795	0.092	2	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	120.0207	1.465	4	120.0207	2.146	4	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)2(H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	C(C[6a]C[6a]N[6a])(CC)	120.0490	2.721	2	120.0490	7.404	2	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)2(H)	C(C[6a]C[6a]N[6a])(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	C(C[6a]C[6a]N[6a])(CC[6])	120.1790	0.000	1	120.1790	0.000	1	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)2(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|N<2>,1|S<4>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	120.9030	0.600	2	120.3600	1.064	3	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)2(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	119.2740	0.000	1	120.3600	1.064	3	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|N<2>}	C(C[6a]C[6a]N[6a])(CC)	122.7002	0.131	4	122.7002	0.017	4	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.0120	0.000	1	121.0120	0.000	1	120.4710	1.467	131	120.4710	1.467	131	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:2:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	C(C[6a]C[6a]N[6a])(N)	119.7900	0.000	1	119.7900	0.000	1	119.7900	0.000	1	119.7900	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:2:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.0885	0.019	2	121.0885	0.000	2	121.0885	0.000	2	121.0885	0.000	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(CN){1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]C){2|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]N[6a])(N)	120.7820	0.000	1	120.7820	0.000	1	120.7820	0.000	1	121.6319	5.847	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CN){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(N)	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	121.6319	5.847	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]C){2|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(N)	118.5775	0.812	2	118.5775	0.660	2	122.1635	8.032	6	121.6319	5.847	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	123.9565	0.555	4	123.9565	0.308	4	122.1635	8.032	6	121.6319	5.847	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH){1|C<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(N)	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	121.6319	5.847	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	121.7910	0.000	1	121.7910	0.000	1	121.7910	0.000	1	121.7910	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:4:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:4:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC)	122.4680	0.000	1	122.4680	0.000	1	122.4680	0.000	1	122.7030	0.042	3	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:2:2:	3:3:4:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(CC)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(SiC3)	C(C[6a]C[6a]N[6a])(CSi)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(CC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(SiC3){3|C<3>}	C(C[6a]C[6a]N[6a])(CSi)	122.8205	0.018	2	122.8205	0.000	2	122.8205	0.000	2	122.7030	0.042	3	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CN){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]2)(N)	118.9910	0.000	1	118.9910	0.000	1	116.6884	2.011	9	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.1013	0.922	7	116.1013	0.851	7	116.6884	2.011	9	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(CN){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	118.4960	0.000	1	118.4960	0.000	1	116.6884	2.011	9	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]O[6a]O)(CN)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]O[6a]O)(CN){1|C<4>,3|C<3>}	C[6a](O[6a]C[5,6a])(C[6a]C[6a]C)(O){3|C<3>}	C(C[6a]C[6a]2)(N)	114.0650	0.000	1	114.0650	0.000	1	113.7458	1.573	17	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]O[6a]O)(CN)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]O[6a]O)(CN){2|C<3>}	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	115.7850	0.000	1	115.7850	0.000	1	113.7458	1.573	17	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]N[5])(C[6a]O[6a]O)(CN)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]N[5])(C[6a]O[6a]O)(CN){1|C<3>,3|C<4>}	C[6a](O[6a]C[6,6a])(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	112.2675	0.169	2	112.2675	0.029	2	113.7458	1.573	17	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]N[6])(C[6a]O[6a]O)(CN)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]N[6])(C[6a]O[6a]O)(CN){1|C<3>,3|C<4>}	C[6a](O[6a]C[6,6a])(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	112.3370	0.000	1	112.3370	0.000	1	113.7458	1.573	17	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	114.4833	0.551	3	114.2420	0.260	7	113.7458	1.573	17	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O){3|C<3>}	C(C[6a]C[6a]2)(N)	114.0610	0.465	4	114.2420	0.260	7	113.7458	1.573	17	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(CN)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(CN){1|H<1>,2|C<3>,2|C<4>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	111.7365	0.091	2	111.7365	0.008	2	113.7458	1.573	17	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CN)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CN){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O){3|C<3>}	C(C[6a]C[6a]2)(N)	114.5963	0.703	3	114.5963	0.494	3	113.7458	1.573	17	114.9359	4.341	27	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	119.5510	0.751	3	119.5510	0.563	3	119.5790	1.177	5	116.9623	4.339	15	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5])	119.6210	1.891	2	119.6210	3.575	2	119.5790	1.177	5	116.9623	4.339	15	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O){3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	115.3290	0.532	7	115.3290	0.283	7	115.6540	0.521	10	116.9623	4.339	15	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CAu)	116.7850	0.000	1	116.7850	0.000	1	115.6540	0.521	10	116.9623	4.339	15	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5a])	115.8310	0.000	1	115.8310	0.000	1	115.6540	0.521	10	116.9623	4.339	15	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	116.6210	0.000	1	116.6210	0.000	1	115.6540	0.521	10	116.9623	4.339	15	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[5a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[5a])(C[6a]N[6a]O)(CN){1|C<4>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|C<3>}	C(C[6a]C[6a]2)(N)	118.7150	0.000	1	118.7150	0.000	1	118.3768	0.765	10	118.5709	1.103	11	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|C<3>}	C(C[6a]C[6a]2)(N)	118.1335	0.728	8	118.3392	0.845	9	118.3768	0.765	10	118.5709	1.103	11	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.9850	0.000	1	118.3392	0.845	9	118.3768	0.765	10	118.5709	1.103	11	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a]){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	118.5709	1.103	11	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.8510	1.576	3	120.8510	2.483	3	120.8510	2.483	3	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN){4|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.3240	0.000	1	117.3240	0.000	1	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.8040	2.565	2	117.8040	6.581	2	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.0150	0.000	1	120.0150	0.000	1	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	118.5217	0.930	3	118.5217	0.865	3	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){1|C<3>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.6775	1.080	2	119.6775	1.166	2	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H){3|C<3>}	C(C[6a]C[6a]2)(N)	119.0500	0.000	1	119.0500	0.000	1	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.4010	0.000	1	119.4010	0.000	1	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.2160	0.000	1	119.2160	0.000	1	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	2:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.1700	0.000	1	120.1700	0.000	1	118.9003	1.603	13	119.5462	3.426	17	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	122.1875	0.291	2	122.1875	0.084	2	122.2464	0.829	8	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.3165	0.309	2	121.3983	0.068	3	122.2464	0.829	8	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.5620	0.000	1	121.3983	0.068	3	122.2464	0.829	8	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	123.9600	0.000	1	123.9600	0.000	1	122.2464	0.829	8	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	122.7205	0.170	2	122.7205	0.029	2	122.2464	0.829	8	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.8850	0.000	1	116.8850	0.000	1	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.8180	0.916	2	118.8180	0.840	2	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.8540	0.000	1	120.0194	0.657	13	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.4440	0.614	4	120.0194	0.657	13	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.2870	0.461	2	120.0194	0.657	13	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.5860	0.000	1	120.0194	0.657	13	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.7323	0.491	3	120.0194	0.657	13	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.6325	0.279	2	120.0194	0.657	13	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	C(C[6a]C[6a]2)(N)	118.8070	0.000	1	118.8070	0.000	1	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]2)(N)	120.3120	0.358	2	120.3120	0.128	2	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.5950	0.000	1	121.5950	0.000	1	119.7900	1.296	20	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CN)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(O){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	111.9870	0.304	2	111.9870	0.092	2	113.2819	5.961	7	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]O[6a]O)(CN)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]O[6a]O)(CN){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(O){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	111.1040	0.000	1	111.1040	0.000	1	113.2819	5.961	7	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]O[6a]O)(CN)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]O[6a]O)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(O){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	112.1480	0.197	2	114.4737	7.299	4	113.2819	5.961	7	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]O[6a]O)(CN)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]O[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(O){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.7995	0.470	2	114.4737	7.299	4	113.2819	5.961	7	119.0578	11.196	36	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]H)(CC){4|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	114.6310	0.000	1	114.6310	0.000	1	117.9357	9.414	3	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	119.5880	1.564	2	119.5880	2.446	2	117.9357	9.414	3	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(CC){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.8075	0.210	2	121.8075	0.044	2	122.0017	0.135	3	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	122.3900	0.000	1	122.3900	0.000	1	122.0017	0.135	3	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CC){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5])	121.7090	0.008	2	121.7090	0.000	2	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	122.6730	0.000	1	122.6730	0.000	1	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.6150	0.731	2	119.6150	0.535	2	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CAu)	121.0078	1.432	8	121.0078	2.051	8	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	118.3825	0.134	2	119.7791	1.672	8	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.5430	0.000	1	119.7791	1.672	8	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.1850	1.263	5	119.7791	1.672	8	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5])	120.8782	0.951	5	120.8782	0.904	5	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5a])	120.3915	0.347	2	120.3915	0.121	2	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6254	1.220	5	120.2529	1.931	49	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	115.4250	0.000	1	120.2529	1.931	49	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	121.0450	0.000	1	120.2529	1.931	49	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.4772	1.211	32	120.2529	1.931	49	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.3290	1.393	5	120.2529	1.931	49	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.1756	0.589	5	120.2529	1.931	49	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CFe)	122.3925	0.788	2	121.7360	1.146	5	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	120.0630	0.000	1	121.7360	1.146	5	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CFe)	121.9160	0.486	2	121.7360	1.146	5	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CGe[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CGe[5])	119.5530	0.823	2	119.5530	0.677	2	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	119.8250	0.000	1	119.8250	0.000	1	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	120.5315	1.282	2	121.0182	1.879	17	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CPt)	121.0831	1.411	15	121.0182	1.879	17	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CRu)	121.2506	1.662	10	121.2506	2.764	10	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	118.6830	0.000	1	118.6830	0.000	1	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC)	121.7550	0.000	1	121.7550	0.000	1	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]N[6a]H)2(CC){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC)	121.8515	1.042	2	121.8515	1.085	2	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]N[6a]H)2(CC){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.0289	0.302	7	122.0289	0.091	7	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]N[6a]H)2(CC){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(CH)	122.3220	0.000	1	122.0598	1.093	5	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]N[6a]H)2(CC){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CH)	121.9942	1.195	4	122.0598	1.093	5	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]N[6a]H)2(CC){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(CI)	122.4052	0.692	5	122.4052	0.478	5	120.8066	2.069	133	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(NMn)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NMn)	115.8500	0.000	1	115.8500	0.000	1	116.4760	0.784	2	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NRh)	117.1020	0.000	1	117.1020	0.000	1	116.4760	0.784	2	120.7095	2.558	141	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a])	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]S)(CN){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC){1|C<3>,2|C<4>}	C(C[6a]C[6,6a]C[6a])(N)	119.8650	0.732	4	119.8650	0.536	4	119.9490	0.438	5	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC[6a])	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC[6a]){1|C<3>,2|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	120.2850	0.000	1	120.2850	0.000	1	119.9490	0.438	5	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	122.5420	0.000	1	122.5420	0.000	1	122.5420	0.000	1	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.8140	0.000	1	118.8140	0.000	1	119.0805	0.142	2	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.3470	0.000	1	119.3470	0.000	1	119.0805	0.142	2	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	C(C[6a]C[6a]2)(N)	119.9940	0.000	1	119.2058	1.124	17	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6060	0.465	3	119.2058	1.124	17	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	C(C[6a]C[6a]2)(N)	119.0528	1.160	13	119.2058	1.124	17	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.7950	0.000	1	119.9108	0.703	5	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.9398	0.965	4	119.9108	0.703	5	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.6090	0.297	2	120.6090	0.088	2	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.0103	0.462	10	120.0103	0.214	10	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.7860	0.000	1	121.7860	0.000	1	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.2750	0.000	1	122.2750	0.000	1	119.7621	1.161	36	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.2510	0.000	1	118.7147	0.163	3	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.9465	0.053	2	118.7147	0.163	3	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6940	0.000	1	119.4965	0.078	2	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){3|C<3>}	C(C[6a]C[6a]2)(N)	119.2990	0.000	1	119.4965	0.078	2	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.0800	0.000	1	120.1295	1.807	2	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.1790	0.000	1	120.1295	1.807	2	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	120.6380	0.944	8	120.6380	0.891	8	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.8160	0.000	1	119.8160	0.000	1	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	C(C[6a]C[6a]2)(N)	120.7373	0.731	3	120.4447	0.699	4	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.5670	0.000	1	120.4447	0.699	4	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|C<4>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.5577	0.310	3	120.5577	0.096	3	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	121.3760	0.000	1	122.0690	0.483	5	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|O<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.4193	0.692	3	122.0690	0.483	5	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|O<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	121.7110	0.000	1	122.0690	0.483	5	120.5040	1.388	28	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]2)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.0610	0.000	1	119.0610	0.000	1	119.0610	0.000	1	120.0842	1.357	74	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	118.3375	0.193	2	118.3375	0.037	2	118.3375	0.037	2	118.3375	0.037	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH){1|C<3>,2|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	120.6540	0.000	1	120.6540	0.000	1	122.0075	3.664	2	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	123.3610	0.000	1	123.3610	0.000	1	122.0075	3.664	2	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	124.8518	0.418	4	124.8518	0.175	4	124.8518	0.175	4	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N)	124.6785	1.648	2	124.6785	2.717	2	124.6785	2.717	2	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(CN)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(CN){6|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,2|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.1140	0.823	4	119.1140	0.678	4	119.1140	0.678	4	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	122.7592	0.499	6	122.7592	0.249	6	122.6843	0.298	8	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.8650	0.000	1	121.8650	0.000	1	122.6843	0.298	8	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	123.0540	0.000	1	123.0540	0.000	1	122.6843	0.298	8	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.2857	1.549	3	118.3737	2.162	6	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.4450	0.000	1	118.3737	2.162	6	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.4550	0.000	1	118.3737	2.162	6	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.4850	0.000	1	118.3737	2.162	6	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5540	0.000	1	119.5540	0.000	1	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.7280	0.000	1	119.7280	0.000	1	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.8580	0.327	4	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.8050	0.000	1	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Se<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.8530	0.000	1	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.4480	0.000	1	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	117.5230	0.000	1	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.6470	1.286	3	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.9620	0.000	1	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	117.4284	0.433	5	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.0535	0.513	2	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.7665	0.122	2	118.1784	0.716	21	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	126.3110	0.000	1	124.8833	1.531	3	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	124.2220	0.000	1	124.8833	1.531	3	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	124.1170	0.000	1	124.8833	1.531	3	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.8465	0.054	2	118.9940	0.092	4	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.1415	0.431	2	118.9940	0.092	4	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	123.6850	0.000	1	123.6850	0.000	1	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1550	0.000	1	119.1550	0.000	1	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.7624	0.948	8	119.7624	0.898	8	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.4630	0.000	1	119.8617	0.271	3	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5620	0.000	1	119.8617	0.271	3	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.5600	0.000	1	119.8617	0.271	3	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N)	118.3930	0.000	1	118.3930	0.000	1	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.5340	0.000	1	119.5340	0.000	1	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N)	121.3570	0.000	1	120.2850	0.659	4	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	119.9277	0.471	3	120.2850	0.659	4	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H){1|Cl<1>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	120.6280	0.314	2	120.6280	0.099	2	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.0660	0.000	1	121.0660	0.000	1	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	115.9200	0.000	1	115.9200	0.000	1	119.3174	3.583	59	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	121.6210	0.700	3	121.6210	0.491	3	121.6210	0.491	3	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN){1|C<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N)	120.2730	0.670	2	120.2730	0.449	2	122.6315	7.663	4	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(N)	124.6100	0.000	1	124.6100	0.000	1	122.6315	7.663	4	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(N)	125.3700	0.000	1	125.3700	0.000	1	122.6315	7.663	4	120.3003	5.940	86	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(CC)	120.3203	0.426	4	120.3203	0.181	4	120.4973	0.356	6	120.4973	0.356	6	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(CH)	120.8515	0.927	2	120.8515	0.859	2	120.4973	0.356	6	120.4973	0.356	6	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	120.3435	0.346	2	119.9415	0.132	8	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.7208	0.305	4	119.9415	0.132	8	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.0430	0.000	1	119.9415	0.132	8	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.9190	0.000	1	119.9415	0.132	8	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(CN){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N)	117.6330	0.000	1	117.6330	0.000	1	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.3550	0.000	1	120.3550	0.000	1	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|N<3>}	C(C[6a]C[6a]2)(N)	119.7920	0.000	1	119.7920	0.000	1	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	121.7020	0.346	2	121.7020	0.120	2	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,1|N<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.9390	0.397	3	120.9390	0.158	3	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	122.8810	0.000	1	122.8810	0.000	1	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CN){1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,2|S<2>}	C(C[6a]C[6a]2)(N)	121.7420	0.276	3	121.7420	0.076	3	120.5820	1.389	20	120.5820	1.389	20	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:2:4:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CC)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CCo2C)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CCo2C){1|O<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	118.8120	0.313	2	118.8120	0.098	2	118.8120	0.098	2	118.8120	0.098	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C-2:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(CC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(CC[5x3,5x5,20x6])(C[6a]C[6a]2)	121.6970	0.000	1	121.6970	0.000	1	121.6970	0.000	1	120.2861	2.062	18	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C-2:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(CC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(CC[5x3,5x5,20x6])(C[6a]C[6a]2)	118.6020	0.000	1	118.6020	0.000	1	120.2031	2.059	17	120.2861	2.062	18	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(CB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(CB[5x3,5x5,20x6])(C[6a]C[6a]2)	120.3309	1.988	8	120.3309	3.952	8	120.2031	2.059	17	120.2861	2.062	18	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(CC[3x3,4,3x5,14x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(CC[3x3,4,3x5,14x6])(C[6a]C[6a]2)	120.0835	0.415	2	120.2218	0.772	4	120.2031	2.059	17	120.2861	2.062	18	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(CC[3x3,4,3x5,14x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(CC[3x3,4,3x5,14x6])(C[6a]C[6a]2)	120.3600	1.438	2	120.2218	0.772	4	120.2031	2.059	17	120.2861	2.062	18	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	2:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(CC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(CC[5x3,5x5,20x6])(C[6a]C[6a]2)	120.3290	0.263	4	120.3290	0.069	4	120.2031	2.059	17	120.2861	2.062	18	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN){1|C<4>,4|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[5,6a]C[6a])(N)	119.4760	0.000	1	119.4760	0.000	1	119.9626	4.567	16	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN){1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(N)	114.9365	0.064	2	114.9365	0.004	2	119.9626	4.567	16	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CN){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(N)	121.5750	0.332	3	121.5750	0.110	3	119.9626	4.567	16	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[5,6a]C[6a])(N)	120.1980	0.783	2	120.6407	0.677	9	119.9626	4.567	16	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[5,6a]C[6a])(N)	120.7671	0.847	7	120.6407	0.677	9	119.9626	4.567	16	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(CN){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|N<3>}	C(C[6a]C[5,6a]C[6a])(N)	119.5610	0.000	1	119.5610	0.000	1	119.9626	4.567	16	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)(H){1|S<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	121.9850	0.479	2	121.9850	0.230	2	122.0780	0.716	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)(H){1|N<3>,2|C<3>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(N)	120.6280	0.000	1	120.6280	0.000	1	122.0780	0.716	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	122.8465	0.202	2	122.6233	0.170	3	122.0780	0.716	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(N)	122.1770	0.000	1	122.6233	0.170	3	122.0780	0.716	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	115.9600	0.957	2	116.9840	3.604	3	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	119.0320	0.000	1	116.9840	3.604	3	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	120.9805	1.102	2	120.9805	1.215	2	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	122.5643	0.403	3	122.2740	0.427	13	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	122.1869	0.705	10	122.2740	0.427	13	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[5a,6a]C[6a])(N)	121.1250	0.000	1	121.2450	0.029	2	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[5a,6a]C[6a])(N)	121.3650	0.000	1	121.2450	0.029	2	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(N)	122.3580	0.000	1	122.3580	0.000	1	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(N)	122.2870	0.000	1	122.2870	0.000	1	121.3459	4.002	22	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6,6a]C[6a])(N)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6,6,6a]C[6a])(N)	121.0055	0.849	2	121.0055	0.721	2	121.0055	0.721	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(CN)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]C)(Cl)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(CN){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]C)(Cl){5|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	117.4767	0.819	4	117.4767	0.671	4	117.4767	0.671	4	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	118.6835	0.282	2	118.2917	0.500	3	118.5554	0.719	5	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	117.5080	0.000	1	118.2917	0.500	3	118.5554	0.719	5	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(F)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]F)(CN){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(F){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6,6a]C[6a])(N)	119.7740	0.000	1	119.7740	0.000	1	118.5554	0.719	5	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]F)(CN){1|C<3>,1|C<4>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|S<2>}	C(C[6a]C[6,6a]C[6a])(N)	118.1280	0.000	1	118.1280	0.000	1	118.5554	0.719	5	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN){1|Br<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	116.2850	0.000	1	116.2850	0.000	1	118.3663	5.298	4	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	116.5340	0.000	1	116.5340	0.000	1	118.3663	5.298	4	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	119.8000	0.000	1	119.8000	0.000	1	118.3663	5.298	4	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|N<2>}	C(C[6a]C[6,6a]C[6a])(N)	120.8460	0.000	1	120.8460	0.000	1	118.3663	5.298	4	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(CN)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(CN){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	116.3360	0.000	1	116.3360	0.000	1	116.3360	0.000	1	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(CN)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(Cl)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]Cl)(CN){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]C)(Cl){5|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	117.4415	0.532	2	117.4415	0.284	2	117.4415	0.284	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.2210	0.417	2	119.2210	0.174	2	119.2210	0.174	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	113.0530	0.000	1	113.0530	0.000	1	118.7879	5.581	9	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.9840	0.000	1	119.4915	0.206	4	118.7879	5.581	9	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.5130	0.298	2	119.4915	0.206	4	118.7879	5.581	9	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	118.9560	0.000	1	119.4915	0.206	4	118.7879	5.581	9	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	120.7795	0.771	2	120.7795	0.595	2	118.7879	5.581	9	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a,6a]C[6a])(N)	118.2565	0.262	2	118.2565	0.069	2	118.7879	5.581	9	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6930	1.144	2	119.7507	0.672	4	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.2190	0.000	1	119.7507	0.672	4	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,2|C<3>,2|N<2>}	C(C[6a]C[6a]2)(N)	120.3980	0.000	1	119.7507	0.672	4	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CN)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.0050	0.000	1	120.0050	0.000	1	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	119.8003	0.218	3	119.4612	0.489	15	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N)	118.2795	0.211	2	119.4612	0.489	15	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3240	0.684	3	119.4612	0.489	15	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.2055	0.221	2	119.4612	0.489	15	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	119.6980	0.000	1	119.4612	0.489	15	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.4135	0.233	2	119.4612	0.489	15	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	120.5250	0.144	2	119.4612	0.489	15	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.4140	0.265	3	120.4140	0.070	3	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5475	0.029	2	119.3483	0.276	6	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,2|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.2488	0.647	4	119.3483	0.276	6	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.5730	0.000	1	119.5730	0.000	1	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]H)(CN)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]H)(CN){3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	118.5380	0.000	1	118.5380	0.000	1	119.5603	0.479	31	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(N)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(N){1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.8990	0.533	2	118.8990	0.284	2	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.0145	0.716	2	119.3891	0.827	7	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.1440	0.000	1	119.3891	0.827	7	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1377	1.058	4	119.3891	0.827	7	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.2135	0.433	2	119.1780	0.082	5	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.4550	0.000	1	119.1780	0.082	5	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.0040	0.013	2	119.1780	0.082	5	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,2|N<2>,2|N<3>}	C(C[6a]C[6a]2)(N)	119.5310	0.000	1	119.5310	0.000	1	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(CN){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	120.2410	0.000	1	120.2410	0.000	1	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]O[6a]O)(CN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]O[6a]O)(CN){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.7130	0.000	1	121.7130	0.000	1	119.4645	0.771	17	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.6970	0.000	1	119.5390	0.050	2	119.5390	0.050	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.3810	0.000	1	119.5390	0.050	2	119.5390	0.050	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	120.2145	0.437	6	120.4150	0.441	7	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.6180	0.000	1	120.4150	0.441	7	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.6560	0.000	1	120.6560	0.000	1	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N)	119.8100	0.000	1	119.8100	0.000	1	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(N)	120.4157	0.766	6	120.2681	0.642	7	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6a]C[6a]2)(N)	119.3830	0.000	1	120.2681	0.642	7	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	120.8343	0.719	3	120.2346	0.903	8	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N)	119.3955	1.623	2	120.2346	0.903	8	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.1800	0.000	1	120.2346	0.903	8	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.2015	0.404	2	120.2346	0.903	8	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.2730	0.000	1	120.3370	0.008	2	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.4010	0.000	1	120.3370	0.008	2	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.9080	0.123	2	120.0178	1.154	4	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.4310	0.000	1	120.0178	1.154	4	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C(C[6a]C[6a]2)(N)	118.8240	0.000	1	120.0178	1.154	4	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.2010	0.412	2	120.2010	0.169	2	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)2(CN)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)2(CN){3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.0185	1.938	2	120.0185	3.757	2	120.2444	0.640	34	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CN){1|F<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(F){1|C<3>,1|F<1>,1|N<3>,2|N<2>}	C(C[6a]C[6a]2)(N)	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(CN)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(CN){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.9310	0.000	1	118.9310	0.000	1	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CN){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	115.5990	1.986	2	115.5990	3.942	2	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.6351	0.551	8	120.6351	0.303	8	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.8400	0.000	1	120.8400	0.000	1	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	119.7690	0.000	1	120.1249	0.339	10	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.3510	0.000	1	120.1249	0.339	10	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.8550	0.000	1	120.1249	0.339	10	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.3303	0.611	3	120.1249	0.339	10	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.3208	0.638	4	120.1249	0.339	10	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.9675	1.552	2	120.9675	2.409	2	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.0400	0.000	1	120.0400	0.000	1	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CN){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	117.7860	2.048	3	117.7860	4.193	3	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|N<3>,3|N<2>}	C(C[6a]C[6a]2)(N)	123.0350	0.000	1	123.0350	0.000	1	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.8170	0.000	1	121.8170	0.000	1	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CN){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.1650	0.000	1	120.1650	0.000	1	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)2(CN)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)2(CN){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.4737	0.653	4	119.4737	0.427	4	119.8727	2.789	35	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.8140	0.000	1	121.6052	0.071	5	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.3480	0.252	2	121.6052	0.071	5	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.7580	0.000	2	121.6052	0.071	5	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)2(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)2(CN){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(Br){1|Br<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	119.1530	0.000	1	119.1530	0.000	1	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	121.2625	0.441	2	120.7340	0.115	14	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.9020	0.109	2	120.7340	0.115	14	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,1|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(N)	120.7290	0.000	1	120.7340	0.115	14	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|Br<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.7793	0.322	3	120.7340	0.115	14	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){2|Br<1>,1|C<3>}	C(C[6a]C[6a]2)(N)	120.4800	0.124	6	120.7340	0.115	14	120.8727	0.405	20	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.1860	0.000	1	119.1860	0.000	1	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	120.2330	0.000	1	120.2330	0.000	1	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.9363	0.653	4	120.8256	0.206	8	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.7150	0.145	4	120.8256	0.206	8	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Br<1>,1|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(N)	120.7075	0.407	2	120.8827	0.101	6	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.9995	0.049	2	120.8827	0.101	6	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(N)	120.9410	0.491	2	120.8827	0.101	6	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]C)2(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)2(CN){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(Cl){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(N)	120.2906	1.455	7	120.2913	1.815	8	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]C)2(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)2(CN){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.2960	0.000	1	120.2913	1.815	8	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)2(CN){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(N)	120.3056	0.839	7	119.9384	0.411	17	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)2(CN){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.9470	0.000	1	119.9384	0.411	17	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)2(CN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	119.6518	0.290	9	119.9384	0.411	17	120.3074	0.724	41	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]C)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CN){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]C)(F){1|C<3>,1|F<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	122.3690	0.000	1	122.3690	0.000	1	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5585	0.724	4	119.5585	0.524	4	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	120.5300	0.486	2	120.5300	0.237	2	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.5040	0.635	2	120.5040	0.403	2	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.9230	0.330	2	120.3188	0.646	11	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.6930	0.000	1	120.3188	0.646	11	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.7550	0.000	1	120.3188	0.646	11	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.7400	0.000	1	120.3188	0.646	11	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.5738	0.839	5	120.3188	0.646	11	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.6040	0.000	1	120.3188	0.646	11	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(N)	119.1170	0.617	2	119.1170	0.380	2	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.1140	0.000	1	120.1140	0.000	1	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	117.1505	0.083	2	117.1505	0.007	2	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(N)	120.7650	0.000	1	120.7650	0.000	1	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(N)	120.6590	0.557	8	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	121.0200	0.000	1	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	121.2760	0.796	2	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	120.8499	0.575	10	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|I<1>}	C(C[6a]C[6a]2)(N)	120.4160	0.143	2	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	121.5340	0.334	2	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.3714	1.233	8	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.9585	0.631	2	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	121.5203	1.061	4	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(N)	120.8340	0.000	1	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|Cl<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	121.0395	0.474	2	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.3898	0.847	11	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|Ir<7>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	121.7460	0.184	2	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|Ir<8>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	121.6867	3.082	10	121.2119	1.916	65	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.6165	0.360	2	122.1573	1.873	7	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(N)	121.4120	0.038	3	122.1573	1.873	7	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|Ir<6>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	123.8160	1.830	2	122.1573	1.873	7	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	120.4330	0.000	1	120.4330	0.000	1	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)2(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)2(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(N)	121.5065	0.370	8	121.5065	0.137	8	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.9640	0.023	2	119.9640	0.001	2	120.9714	1.985	109	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C)	121.6420	0.291	2	120.9717	1.238	6	120.9717	1.238	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C)	120.5130	0.122	2	120.9717	1.238	6	120.9717	1.238	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C)	120.7600	2.164	2	120.9717	1.238	6	120.9717	1.238	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>}	C(C[6a]C[6a]2)(H)	120.9355	1.170	2	121.0288	3.648	4	120.9698	2.466	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(H)	121.1220	3.089	2	121.0288	3.648	4	120.9698	2.466	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(H)	120.8520	1.160	2	120.8520	1.345	2	120.9698	2.466	6	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.3215	0.135	2	119.7273	0.544	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.0268	0.498	5	119.7273	0.544	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.2302	0.770	4	119.7273	0.544	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	118.9235	0.159	2	119.7273	0.544	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.6370	0.000	1	119.7273	0.544	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5160	0.584	4	118.9985	0.745	11	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,2|N<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	117.9907	0.524	3	118.9985	0.745	11	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.2370	0.715	4	118.9985	0.745	11	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N)	117.1545	0.040	2	117.1545	0.002	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	118.2150	0.356	2	119.1134	0.582	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.4450	0.142	3	119.1134	0.582	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	118.9160	0.000	1	119.1134	0.582	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.2382	0.869	8	119.1134	0.582	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.2690	0.214	2	117.3665	0.145	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.8830	0.000	1	117.3665	0.145	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.0450	0.000	1	117.3665	0.145	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN){4|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	118.5285	0.984	2	118.5285	0.967	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.5730	0.000	1	119.4160	0.049	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.2590	0.000	1	119.4160	0.049	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.4984	0.960	9	119.8188	0.702	22	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.5317	0.568	3	119.8188	0.702	22	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.3135	1.135	2	119.8188	0.702	22	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.1290	0.000	1	119.8188	0.702	22	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.2580	0.000	1	119.8188	0.702	22	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.9700	0.819	3	119.8188	0.702	22	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.3670	0.000	1	119.8188	0.702	22	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.8210	0.061	2	119.8188	0.702	22	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CN){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.0560	0.000	1	117.0560	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]2)(N)	119.0692	0.673	6	119.0692	0.454	6	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.7510	0.000	1	119.3768	0.341	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.2832	0.630	4	119.3768	0.341	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.5485	0.855	2	119.2900	0.488	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.5580	0.000	1	119.2900	0.488	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5938	0.468	4	119.2900	0.488	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	115.8050	0.000	1	115.8050	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	117.7300	0.259	2	117.7300	0.067	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.9190	0.345	4	118.0424	1.481	29	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.0340	0.000	1	118.0424	1.481	29	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.8134	0.972	24	118.0424	1.481	29	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	114.7860	0.782	2	114.7860	0.612	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.8270	0.000	1	116.8270	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	117.5030	0.000	1	117.5030	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	119.5880	0.000	1	119.5010	0.029	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.3375	0.163	2	119.5010	0.029	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6210	0.000	2	119.5010	0.029	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	119.0453	0.369	3	119.0453	0.136	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.7632	0.833	8	119.7089	0.629	10	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.4915	0.827	2	119.7089	0.629	10	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|B<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N)	120.3710	0.000	1	120.3710	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.9140	0.000	1	119.9140	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.9065	0.384	4	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.4220	0.000	1	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|I<1>}	C(C[6a]C[6a]2)(N)	121.2995	1.252	2	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.1110	0.000	1	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.7627	0.585	4	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.1155	0.218	2	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.3745	0.604	17	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	120.1267	1.174	3	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.5447	1.365	7	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|I<1>}	C(C[6a]C[6a]2)(N)	119.5520	0.000	1	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.7774	1.207	5	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.6833	0.764	74	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.7415	0.336	2	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	C(C[6a]C[6a]2)(N)	118.2790	0.120	3	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.9943	1.056	20	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N)	118.8471	0.776	12	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.0790	0.000	1	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.2350	0.000	1	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.0504	0.887	19	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.0160	0.516	2	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.2230	0.000	1	119.9698	1.683	182	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.9980	0.000	1	118.5177	0.197	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|I<1>}	C(C[6a]C[6a]2)(N)	118.2775	0.220	2	118.5177	0.197	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.3890	0.000	1	119.7331	0.581	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	118.9240	0.000	1	119.7331	0.581	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.1133	0.561	3	119.7331	0.581	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N)	121.0570	0.000	1	119.7331	0.581	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.1813	0.547	4	119.7331	0.581	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.7310	0.000	1	119.7331	0.581	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.0320	0.000	1	119.7331	0.581	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	119.3320	0.000	1	119.7331	0.581	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.5954	0.622	74	119.5961	0.440	110	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.0980	0.000	1	119.5961	0.440	110	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.6877	0.690	28	119.5961	0.440	110	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.4290	0.000	1	119.5961	0.440	110	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	118.9538	0.596	6	119.5961	0.440	110	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.9350	0.880	2	120.0762	0.354	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.1018	0.585	11	120.0762	0.354	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	119.4169	1.468	18	119.5435	0.903	99	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|C<2>}	C(C[6a]C[6a]2)(N)	119.7952	0.610	62	119.5435	0.903	99	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	118.1173	0.663	9	119.5435	0.903	99	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.8123	0.584	3	119.5435	0.903	99	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.9630	0.000	1	119.5435	0.903	99	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|C<2>}	C(C[6a]C[6a]2)(N)	119.4242	0.598	6	119.5435	0.903	99	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.6930	1.751	2	120.6242	1.066	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Fe<10>,1|Cl<1>,1|C<2>,1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	120.5555	0.337	2	120.6242	1.066	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.3245	0.342	2	120.2032	1.728	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|C<2>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.0820	0.197	2	120.2032	1.728	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	120.6960	1.375	2	120.4436	0.366	9	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.0180	0.000	1	120.4436	0.366	9	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.4303	0.382	6	120.4436	0.366	9	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.3115	1.119	4	120.3115	1.252	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.3145	0.118	2	119.3145	0.014	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|C<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.1440	0.000	1	119.1440	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	116.2140	0.000	1	117.3530	2.595	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.4920	0.000	1	117.3530	2.595	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	117.4175	0.760	2	118.3397	1.345	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.2620	0.238	2	118.3397	1.345	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	117.4485	0.035	2	116.3543	1.648	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	115.2600	0.392	2	116.3543	1.648	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.8950	0.054	3	119.8421	0.238	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.8025	0.685	4	119.8421	0.238	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.7970	0.000	1	120.9760	0.064	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|F<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.1550	0.000	1	120.9760	0.064	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	C(C[6a]C[6a]2)(N)	123.3560	0.000	1	121.9216	0.960	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.5640	0.000	1	121.9216	0.960	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.7062	0.914	5	121.9216	0.960	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.1490	0.228	2	121.1490	0.052	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|S<6>}	C(C[6a]C[6a]2)(N)	118.9610	0.000	1	118.9610	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.6665	0.030	2	119.6665	0.001	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.3235	1.474	2	119.6981	0.931	63	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	118.1785	1.607	2	119.6981	0.931	63	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	118.0090	0.000	1	119.6981	0.931	63	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.8732	0.600	30	119.6981	0.931	63	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.6387	1.109	21	119.6981	0.931	63	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	C(C[6a]C[6a]2)(N)	119.6226	1.198	7	119.6981	0.931	63	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	117.7270	0.000	1	117.7270	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.1660	0.000	1	118.7637	0.703	6	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N)	118.1663	0.720	3	118.7637	0.703	6	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.0830	0.000	1	118.7637	0.703	6	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.8340	0.000	1	118.7637	0.703	6	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.2480	0.195	2	120.2480	0.038	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.5025	0.859	2	116.9398	9.068	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	114.3770	0.443	2	116.9398	9.068	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	118.5510	0.000	1	118.5510	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	119.9666	0.302	8	119.9666	0.091	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.2930	0.130	2	120.2930	0.017	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.7951	0.549	15	120.7951	0.301	15	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.4130	0.000	1	119.4130	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	118.9730	0.000	1	118.9730	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.8457	0.737	3	120.8457	0.543	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|C<3>,1|O<2>,2|N<3>}	C(C[6a]C[6a]2)(N)	120.9610	0.000	1	120.9610	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.0760	0.260	2	119.0760	0.068	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	C(C[6a]C[6a]2)(N)	118.1500	0.264	3	117.7044	0.945	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	C(C[6a]C[6a]2)(N)	117.0360	1.467	2	117.7044	0.945	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	119.3085	1.175	2	119.3085	1.379	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	117.7940	0.000	1	117.7940	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	117.8560	0.000	1	117.8560	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|S<2>}	C(C[6a]C[6a]2)(N)	118.6717	0.685	3	118.6717	0.469	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]2)(N)	120.5790	0.000	1	119.3715	2.916	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	118.1640	0.000	1	119.3715	2.916	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]2)(N)	118.1470	0.000	1	118.1470	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	122.5360	0.091	2	121.3419	0.608	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.0220	0.430	2	121.3419	0.608	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.7740	0.000	1	121.3419	0.608	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.9483	0.330	3	121.3419	0.608	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.4970	0.000	1	121.4566	1.462	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.9465	0.591	4	121.4566	1.462	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.5360	0.000	1	121.3370	0.079	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.1380	0.000	1	121.3370	0.079	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|N<2>,2|N<3>}	C(C[6a]C[6a]2)(N)	121.5981	1.487	10	121.6335	2.004	11	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.9870	0.000	1	121.6335	2.004	11	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.4360	0.741	2	121.4360	0.549	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|N<2>,2|O<2>}	C(C[6a]C[6a]2)(N)	122.5774	0.560	9	122.4047	0.420	11	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	121.6275	0.465	2	122.4047	0.420	11	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.5450	0.000	1	119.5450	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.8960	0.000	1	119.3705	0.440	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.2580	0.000	1	119.3705	0.440	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.1085	0.817	2	119.3705	0.440	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.6483	0.389	4	119.3705	0.440	8	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.9960	0.000	1	118.9960	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.6440	0.978	4	119.2648	1.106	15	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.8540	0.000	1	119.2648	1.106	15	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.7010	0.000	1	119.2648	1.106	15	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.4294	1.213	8	119.2648	1.106	15	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.4060	0.000	1	119.2648	1.106	15	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.1710	0.000	1	119.5816	0.583	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.1910	0.772	3	119.5816	0.583	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6110	0.000	1	119.5816	0.583	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	119.3745	0.347	4	119.5816	0.583	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.8230	0.000	1	119.5816	0.583	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.1705	0.122	2	119.5816	0.583	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|Se<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.0625	0.862	2	119.5816	0.583	14	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.9790	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1850	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.7650	0.761	2	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.8275	0.168	4	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.8335	0.451	4	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	120.5747	0.560	4	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.0161	1.064	23	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.1324	0.822	5	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.2670	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.6303	0.483	3	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.1980	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.9020	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.4948	1.063	5	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.3110	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.1920	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.4350	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.5805	1.071	11	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.7005	0.158	2	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.6399	0.966	35	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.2910	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.8457	0.809	3	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.7146	1.420	7	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.2860	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.5240	0.563	3	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.1070	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.6841	0.738	10	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.2455	0.295	2	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.9233	0.658	12	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.6410	0.156	2	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.6598	0.391	5	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.8451	0.958	65	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.9398	0.861	316	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.1820	0.400	2	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	120.0884	0.894	46	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.3082	0.733	418	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	C(C[6a]C[6a]2)(N)	119.6394	0.740	8	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.0602	0.779	165	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<3>}	C(C[6a]C[6a]2)(N)	120.2806	0.674	10	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	119.9291	0.580	14	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(N)	119.5822	0.892	18	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.7378	1.212	82	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.9301	0.925	709	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.2101	1.583	8	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.9778	0.538	4	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Te<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.8625	0.682	2	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.0590	0.000	2	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	120.0100	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.1110	0.000	3	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.0673	0.914	26	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.6980	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.6860	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.8020	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.7390	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Ni<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.9180	0.000	1	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Pt<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.4620	0.271	3	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.9920	0.841	2	120.0129	0.795	2062	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.3510	0.000	1	119.7430	0.468	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.5910	0.686	4	119.7430	0.468	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.8148	0.541	5	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.1680	0.000	1	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.0560	0.000	1	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.3990	0.000	1	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.4270	0.900	7	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1042	1.001	31	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.8190	0.000	1	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.0880	0.000	1	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.4187	0.786	7	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1863	1.145	8	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.5660	2.134	2	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	117.9820	0.000	1	119.3236	1.087	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	118.6250	0.000	1	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.4790	0.728	2	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.3420	0.000	1	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.3073	1.096	3	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.2170	0.000	1	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.9426	0.579	10	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.0680	0.137	2	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.4380	1.164	2	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.5610	0.000	1	119.0462	0.421	23	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.7285	0.173	2	119.7285	0.030	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.7880	0.000	1	120.4155	0.278	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.0430	0.000	1	120.4155	0.278	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.4750	0.287	4	120.2170	0.546	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.8931	0.649	7	120.2170	0.546	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.1849	0.710	55	120.2170	0.546	66	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.8563	0.883	4	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.0250	0.846	3	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.6535	0.531	2	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.6527	0.272	4	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.7550	0.055	2	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.6205	0.908	4	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.3902	0.447	4	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.4548	0.317	4	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.2017	0.785	18	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.7280	0.817	4	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.4510	0.473	12	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.7890	0.000	1	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.6528	0.533	6	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.6825	0.322	8	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.7579	0.878	8	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.2860	0.000	3	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3300	0.633	18	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.9080	0.000	1	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.9690	0.000	1	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3120	0.000	1	119.5367	0.466	108	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N)	120.6500	0.000	1	120.6500	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	120.1840	0.856	2	119.2398	0.574	12	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	119.1580	0.000	1	119.2398	0.574	12	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.3210	0.000	1	119.2398	0.574	12	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3565	0.513	2	119.2398	0.574	12	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	117.7000	0.000	1	119.2398	0.574	12	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3730	0.000	1	119.2398	0.574	12	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.3110	0.288	4	119.2398	0.574	12	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	120.5720	0.000	1	120.5720	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	117.7750	0.000	2	119.3441	1.002	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.8270	0.000	1	119.3441	1.002	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.9970	1.616	2	119.3441	1.002	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.6227	0.448	6	119.3441	1.002	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1830	1.372	2	119.3441	1.002	13	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5220	0.000	1	119.5710	0.005	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6200	0.000	1	119.5710	0.005	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.2945	0.439	2	118.9807	0.934	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<3>}	C(C[6a]C[6a]2)(N)	119.1797	1.005	4	118.9807	0.934	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	117.5570	0.000	1	118.9807	0.934	7	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.8650	0.301	2	119.2625	0.587	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.6600	1.018	2	119.2625	0.587	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.0715	0.503	2	119.1300	0.137	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.2470	0.000	1	119.1300	0.137	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.1830	0.164	2	120.0353	0.770	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.8875	1.481	2	120.0353	0.770	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Ni<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.9140	0.000	1	118.9140	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Pt<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.5540	1.092	3	118.5540	1.193	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.5250	1.212	2	118.5250	1.469	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|N<2>}	C(C[6a]C[6a]2)(N)	120.7260	0.000	1	120.7260	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)2(CN){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3788	0.385	6	119.3788	0.148	6	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.3660	1.082	6	119.3660	1.171	6	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	114.8010	0.000	1	114.8010	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	118.4700	0.269	2	119.2694	0.564	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.8390	0.218	2	119.2694	0.564	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	C(C[6a]C[6a]2)(N)	119.7290	0.000	1	119.2694	0.564	5	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.3030	0.000	1	118.3030	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	117.5300	0.000	1	117.5300	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Pt<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	115.7460	0.000	1	116.9762	0.729	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	117.3863	0.290	3	116.9762	0.729	4	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	116.4790	0.000	1	116.4790	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CN){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	116.1165	0.408	2	116.1165	0.166	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	121.7860	0.000	1	121.7860	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.6637	0.264	3	120.6637	0.070	3	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|N<2>,2|N<3>}	C(C[6a]C[6a]2)(N)	120.4050	0.000	1	120.4050	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N)	121.8880	0.000	1	121.8880	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(H){2|Cl<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	121.0430	0.212	2	121.0430	0.045	2	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|N<2>,2|N<3>}	C(C[6a]C[6a]2)(N)	117.9200	0.000	1	117.9200	0.000	1	119.8687	1.085	3248	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|S<2>}	C(C[6a]C[6a]2)(O)	120.1095	1.010	2	120.1095	1.021	2	119.2219	0.577	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(O)	119.3850	0.000	1	119.3850	0.000	1	119.2219	0.577	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(O)	120.1870	0.000	1	120.1870	0.000	1	119.2219	0.577	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(O)	119.4230	0.000	1	119.4230	0.000	1	119.2219	0.577	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(O)	118.8160	0.296	2	118.7045	0.113	6	119.2219	0.577	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(O)	118.6487	0.384	4	118.7045	0.113	6	119.2219	0.577	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	122.0860	0.000	1	122.0860	0.000	1	121.3209	2.036	7	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.1230	1.454	2	120.1230	2.114	2	121.3209	2.036	7	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(N)	122.6520	1.228	2	122.6520	1.507	2	121.3209	2.036	7	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|S<6>}	C(C[6a]C[6a]2)(N)	121.5350	0.000	1	121.5350	0.000	1	121.3209	2.036	7	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]I)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]I)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|I<1>}	C(C[6a]C[6a]2)(N)	120.0750	0.000	1	120.0750	0.000	1	121.3209	2.036	7	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]O)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]O)2(CN){1|C<3>,2|O<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(O){1|C<2>,1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	118.5355	0.671	4	118.5355	0.451	4	118.6876	0.454	5	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[5a,6a]C[3])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(CN){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[3])(C[6a]C[6a]C)(O){1|S<2>,2|N<3>,3|C<4>}	C(C[6a]C[6a]2)(N)	119.2960	0.000	1	119.2960	0.000	1	118.6876	0.454	5	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.6050	0.000	1	118.6050	0.000	1	120.3095	5.811	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C(C[6a]C[6a]2)(N)	122.0140	0.000	1	122.0140	0.000	1	120.3095	5.811	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(CN){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	115.4270	0.000	1	115.4270	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	115.3385	0.689	2	114.6713	0.835	4	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	114.0040	0.499	2	114.6713	0.835	4	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	115.5720	0.000	1	115.4244	0.875	5	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.7330	0.000	1	115.4244	0.875	5	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	114.9390	0.728	3	115.4244	0.875	5	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N)	115.8110	0.000	1	115.8110	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	115.2593	1.262	4	115.3368	1.158	6	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N)	115.4920	0.969	2	115.3368	1.158	6	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N)	117.5095	0.177	2	116.6743	0.485	7	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	116.2050	0.432	4	116.6743	0.485	7	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.8810	0.000	1	116.6743	0.485	7	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	116.9590	0.075	2	116.9590	0.006	2	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<1>}	C(C[6a]C[6a]2)(N)	116.9660	0.000	1	116.9660	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	115.9180	0.000	1	115.9180	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	114.7790	0.000	1	114.7790	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	111.4550	0.000	1	111.4550	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	115.2410	0.000	1	115.2410	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	116.7430	0.000	1	116.7430	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	118.0700	0.000	1	118.0700	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	117.3870	0.000	1	117.3870	0.000	1	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	117.3650	0.845	3	117.6905	0.900	4	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	118.6670	0.000	1	117.6905	0.900	4	115.9743	2.054	38	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(CN)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N)	116.0070	0.000	1	116.0070	0.000	1	116.4895	0.466	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(CN)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(CN){1|C<2>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.9720	0.000	1	116.9720	0.000	1	116.4895	0.466	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CN)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	117.9500	0.322	3	117.9500	0.104	3	117.9500	0.104	3	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]O)(CN){1|H<1>,4|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	113.8420	0.000	1	113.8420	0.000	1	115.5195	0.814	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(CN){1|C<4>,2|C<3>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	116.4120	0.000	1	116.4120	0.000	1	115.5195	0.814	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.8350	0.000	1	115.9168	0.507	5	115.5195	0.814	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	C(C[6a]C[6a]2)(N)	115.6873	0.569	4	115.9168	0.507	5	115.5195	0.814	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,4|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	115.2190	0.671	4	115.2190	0.450	4	115.5195	0.814	11	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	120.5540	0.000	1	120.5540	0.000	1	119.7990	1.140	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN)	C[6a](C[6a]N[6a]C)2(H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(N)	119.0440	0.000	1	119.0440	0.000	1	119.7990	1.140	2	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:1:	N[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-1:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]N[5a,6a]C[6a])(N)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(N)	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	119.8581	1.478	3706	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	120.8690	0.000	1	121.4590	0.696	2	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	122.0490	0.000	1	121.4590	0.696	2	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CAu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CAu)	123.0690	0.000	1	123.0690	0.000	1	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CC)	124.1130	0.000	2	124.1130	0.000	2	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	123.2130	0.000	1	124.4330	2.977	2	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	125.6530	0.000	1	124.4330	2.977	2	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CSi)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CSi)	120.5095	0.769	2	121.8680	2.689	4	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CSi)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[5,6a]C[6a])(CSi)	123.2265	0.309	2	121.8680	2.689	4	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[5,6a]C[6a])(CC[3])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CC[3])	121.6110	0.000	1	121.6110	0.000	1	122.6802	2.628	12	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC)	123.4686	1.710	10	123.4686	2.924	10	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(CC[3x6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CC[3x6])	122.3655	1.388	2	122.3655	1.927	2	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6])	121.9500	3.198	2	120.3390	12.898	3	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){2|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6])	117.1170	0.000	1	120.3390	12.898	3	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	122.8801	1.555	13	122.2806	4.603	15	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){2|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	118.3840	0.610	2	122.2806	4.603	15	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[5a,6a]C[6a])(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|F<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CSi)	114.1180	0.000	1	114.1180	0.000	1	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CB[5x3,5x5,20x6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CB[5x3,5x5,20x6])	122.3480	2.028	4	122.3480	4.113	4	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CC[5])	123.3995	1.479	2	122.9350	0.726	9	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CC[5])	122.8348	0.853	5	122.9350	0.726	9	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CC[5])	122.4610	0.000	1	122.9350	0.726	9	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[5])	122.9810	0.000	1	122.9350	0.726	9	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CC[6])	121.3725	0.593	2	121.3725	0.352	2	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	123.2415	0.561	2	123.0958	0.715	24	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	123.4379	0.938	7	123.0958	0.715	24	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	123.2810	0.000	1	123.0958	0.715	24	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	122.3053	0.742	4	123.0958	0.715	24	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	123.1248	0.801	10	123.0958	0.715	24	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CFe)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CFe)	123.2410	0.000	1	123.2410	0.000	1	122.6035	3.721	71	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6,6a]C[6a])(CC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6,6,6a]C[6a])(CC[6a])	120.3877	0.534	4	120.5418	0.702	6	120.7352	0.968	10	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6,6a]C[6a])(CC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6,6,6a]C[6a])(CC[6a])	120.8500	1.540	2	120.5418	0.702	6	120.7352	0.968	10	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6,6a]C[6a])(CSi)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6,6,6a]C[6a])(CSi)	121.0252	1.243	4	121.0252	1.546	4	120.7352	0.968	10	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(H){1|C<3>,2|O<2>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	121.9905	0.694	2	122.0406	0.670	14	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(H){1|C<3>,2|O<2>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	122.0489	0.864	12	122.0406	0.670	14	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CB)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6,6a]C[6a])(CB)	118.6675	1.458	4	118.6675	2.126	4	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6,6a]C[6a])(CC)	120.1612	0.849	4	120.1612	0.720	4	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	116.9750	0.940	2	120.7318	5.924	8	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	122.1725	0.714	4	120.7318	5.924	8	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	121.6070	0.997	2	120.7318	5.924	8	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6,6a]C[6a])(CH)	119.1732	0.220	4	119.1732	0.048	4	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CSi)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6,6a]C[6a])(CSi)	118.0279	1.930	8	118.0279	3.727	8	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6,6a]C[6a])(CC[5])	120.9410	0.000	1	120.9410	0.000	1	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6,6a]C[6a])(CC[6a])	120.9810	0.000	1	120.9810	0.000	1	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CSi)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6,6a]C[6a])(CSi)	121.7365	0.644	2	121.7365	0.415	2	120.3489	4.251	46	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.8540	0.000	2	120.8540	0.000	2	120.8540	0.000	2	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CAu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CAu)	121.7430	0.000	1	121.7430	0.000	1	119.5144	3.671	8	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5a])	119.5692	1.214	4	119.5692	1.474	4	119.5144	3.671	8	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6])	117.1670	0.478	2	117.1670	0.228	2	119.5144	3.671	8	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	121.7610	0.000	1	121.7610	0.000	1	119.5144	3.671	8	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CAu)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CAu)	120.9460	0.000	1	120.9460	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	120.8837	1.213	3	120.8837	1.471	3	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5])	119.7050	0.127	2	119.7050	0.016	2	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5a])	119.9650	0.000	1	119.9650	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.9814	0.571	7	119.9814	0.326	7	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CPt)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CPt)	121.1320	0.253	2	121.1320	0.064	2	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	118.8730	0.000	1	118.8730	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)2(H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)2(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	118.9550	0.214	2	118.9550	0.046	2	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)2(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)2(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.3680	0.000	1	120.3680	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.7433	0.655	4	120.7433	0.429	4	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(H){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	114.6190	0.000	1	114.6190	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	116.1830	0.000	1	116.1830	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CAu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CAu)	120.9913	0.528	4	120.8368	0.328	5	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CAu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CAu)	120.2190	0.000	1	120.8368	0.328	5	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	116.9017	0.323	6	118.0501	3.339	15	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	116.4247	0.093	3	118.0501	3.339	15	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	120.0112	1.207	6	118.0501	3.339	15	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5])	116.7715	0.049	2	118.8967	6.130	4	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5])	121.0220	0.566	2	118.8967	6.130	4	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[5a])	120.9718	0.865	4	120.9718	0.748	4	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6])	115.7710	2.629	2	117.0773	8.575	3	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6])	119.6900	0.000	1	117.0773	8.575	3	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	115.4595	0.652	4	119.0897	4.916	31	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	118.3898	0.261	4	119.0897	4.916	31	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.6130	0.000	1	119.0897	4.916	31	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	113.6880	0.000	1	119.0897	4.916	31	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.1251	1.417	20	119.0897	4.916	31	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.5820	0.000	1	119.0897	4.916	31	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CFe)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CFe)	120.9735	0.151	2	120.9735	0.023	2	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CH)	115.9130	0.000	1	119.2109	2.007	8	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CH)	119.6820	0.519	7	119.2109	2.007	8	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CI)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CI)	121.1716	0.837	9	121.1716	0.701	9	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CNi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CNi)	120.3590	0.000	1	120.3590	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CRu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CRu)	120.5590	0.854	3	120.5590	0.730	3	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	115.4080	0.000	1	120.0126	2.256	17	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	121.4760	0.000	1	120.0126	2.256	17	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	121.3205	0.420	4	120.0126	2.256	17	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	119.8622	0.731	10	120.0126	2.256	17	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi)	119.4260	0.000	1	120.0126	2.256	17	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSn)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSn)	120.2539	0.851	18	120.2539	0.724	18	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC)	121.1680	0.000	1	121.1680	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[3])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[3])	120.8850	0.082	2	120.8850	0.007	2	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	120.9689	0.578	7	120.9689	0.334	7	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	121.1830	0.000	1	121.1830	0.000	1	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a,6a]C[6a])(CH)	120.9420	0.202	2	120.9420	0.041	2	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a,6a]C[6a])(CSi)	121.0339	0.877	8	120.9398	0.753	9	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a,6a]C[6a])(CSi)	120.1870	0.000	1	120.9398	0.753	9	119.8077	3.167	168	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.9470	0.000	1	120.9470	0.000	1	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6a]C[6a]2)(CC)	121.2410	0.000	1	120.1230	2.500	2	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(CC)	119.0050	0.000	1	120.1230	2.500	2	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(CC[6a])	121.3970	0.000	1	119.6232	1.249	6	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.0860	0.382	2	119.6232	1.249	6	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.8920	0.000	1	119.6232	1.249	6	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.6390	0.228	2	119.6232	1.249	6	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CGe)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CGe)	121.5367	0.266	3	121.5367	0.071	3	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CH)	121.1578	1.131	5	121.1578	1.279	5	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CP)	120.5627	0.872	3	120.5627	0.761	3	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CPt)	120.2362	0.693	4	120.2362	0.480	4	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CSi)	119.3510	0.000	1	119.3510	0.000	1	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	119.7063	1.224	4	119.7063	1.497	4	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,2|O<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.8245	0.162	2	118.8245	0.026	2	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a])	121.1153	0.667	3	121.1153	0.445	3	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.6230	0.000	1	120.6230	0.000	1	120.3359	1.259	35	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(CC)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(F)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(CC){1|C<3>,1|F<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(F){1|F<1>,3|C<3>}	C(C[6a]C[6a]2)(CC)	122.4630	0.000	1	122.4630	0.000	1	122.4630	0.000	1	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a])	120.4467	0.734	9	120.4467	0.539	9	120.5300	1.091	34	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CC[6])	119.7800	2.161	2	119.7800	4.670	2	120.5300	1.091	34	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.6109	0.978	14	120.6109	0.957	14	120.5300	1.091	34	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CPt)	122.0290	0.000	1	122.0290	0.000	1	120.5300	1.091	34	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CSi)	120.6452	1.559	5	120.6452	2.429	5	120.5300	1.091	34	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6])	119.6150	0.000	1	119.6150	0.000	1	120.5300	1.091	34	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CSi)	120.5085	0.648	2	120.5085	0.420	2	120.5300	1.091	34	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CH)	120.6785	0.060	2	120.6785	0.004	2	120.6785	0.004	2	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(CC[6a])	121.0150	0.000	1	121.1493	0.046	3	120.6744	0.239	7	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.2165	0.255	2	121.1493	0.046	3	120.6744	0.239	7	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(CH)	120.2520	0.000	1	120.2520	0.000	1	120.6744	0.239	7	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(CSi)	120.0860	0.000	1	120.1945	0.024	2	120.6744	0.239	7	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	120.3030	0.000	1	120.1945	0.024	2	120.6744	0.239	7	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(CC[5])	120.6320	0.000	1	120.6320	0.000	1	120.6744	0.239	7	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Br){1|Br<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.4470	0.325	2	121.4470	0.106	2	121.4470	0.106	2	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CSi)	119.4145	0.347	2	119.4145	0.121	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|B<3>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.7755	0.684	2	118.7755	0.468	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Br<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.7475	0.655	2	121.7475	0.430	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.2815	1.100	2	121.2815	1.209	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.2280	1.254	7	119.2280	1.573	7	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CSi)	120.0340	0.000	1	120.0340	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC)	120.6532	0.746	18	120.6532	0.556	18	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[5])	120.3810	0.000	1	120.3810	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6])	119.5250	0.000	1	119.5250	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.4000	0.000	1	121.0991	0.499	11	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.6455	1.603	2	121.0991	0.499	11	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.2110	0.000	1	121.0991	0.499	11	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.1023	0.579	6	121.0991	0.499	11	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.5740	0.000	1	121.0991	0.499	11	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(CH)	122.1530	0.000	1	121.0230	2.554	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CH)	119.8930	0.000	1	121.0230	2.554	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CNi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CNi)	120.2710	0.000	1	120.2710	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CPt)	122.5135	1.707	8	122.5135	2.915	8	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.3340	0.170	2	119.3340	0.029	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CH)	120.8200	0.000	1	120.8200	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.0810	0.000	1	121.0810	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	122.7300	1.072	3	122.7300	1.149	3	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	122.8485	1.513	2	122.8485	2.288	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CAu)	124.0730	0.000	1	124.0730	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[5a])	123.9220	0.000	1	123.9220	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	123.4420	0.000	1	123.4420	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)2(CC)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]H)2(CC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(CSi)	120.1290	0.236	2	120.1290	0.056	2	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(CC){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CSi)	122.7860	0.000	1	122.7860	0.000	1	120.9888	2.314	73	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Br)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(Br){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.5450	0.588	2	119.5450	0.346	2	121.2646	4.707	10	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Br)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(Br){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a])	121.4280	0.228	2	121.4280	0.052	2	121.2646	4.707	10	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	124.2375	3.833	2	121.7833	6.876	6	121.2646	4.707	10	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.2310	0.000	1	121.7833	6.876	6	121.2646	4.707	10	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.6647	0.860	3	121.7833	6.876	6	121.2646	4.707	10	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(CC[5,5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5,5])	121.6380	0.000	1	121.6380	0.000	1	121.4201	0.251	15	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.0360	0.000	1	120.8940	0.040	2	121.4201	0.251	15	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.7520	0.000	1	120.8940	0.040	2	121.4201	0.251	15	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC)	121.2325	0.088	2	121.2325	0.008	2	121.4201	0.251	15	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[3x6])	121.5075	0.036	2	121.5075	0.001	2	121.4201	0.251	15	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]Cl)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	121.7363	0.565	6	121.7363	0.319	6	121.4201	0.251	15	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(Cl)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]Cl)2(CC){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(Cl){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(CC[5])	120.9885	0.455	2	120.9885	0.207	2	121.4201	0.251	15	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(Cl){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NO)	120.1500	0.000	1	120.1500	0.000	1	120.7400	0.309	3	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]Cl)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NO)	121.0350	0.311	2	121.0350	0.097	2	120.7400	0.309	3	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(CC)	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]C)(F)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)(CC){1|C<3>,1|F<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]C)(F){1|F<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	121.7690	0.000	1	121.7690	0.000	1	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[6a])	120.9490	0.076	2	120.9490	0.006	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	119.9105	1.070	8	119.9105	1.144	8	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.7805	0.343	2	120.1213	0.353	6	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3740	0.000	1	120.1213	0.353	6	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.2643	0.804	3	120.1213	0.353	6	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.0860	0.000	1	121.3937	0.459	3	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.0475	0.446	2	121.3937	0.459	3	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	121.4100	0.000	1	121.6580	0.123	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CH)	121.9060	0.000	1	121.6580	0.123	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CI)	121.9690	0.571	2	121.9690	0.326	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|I<1>}	C(C[6a]C[6a]2)(CC)	119.5080	0.751	3	119.5080	0.564	3	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6a])	120.0063	0.533	3	120.0063	0.284	3	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	121.4555	1.032	2	121.4555	1.064	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CSi)	120.2630	0.000	1	120.2630	0.000	1	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(F){2|F<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.1430	0.000	1	121.1430	0.000	1	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(F)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]F)2(CC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(F){2|F<1>,3|C<3>}	C(C[6a]C[6a]2)(CI)	122.8620	0.843	2	122.8620	0.710	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC)	121.6663	0.209	6	121.6663	0.044	6	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[5])	121.6741	1.270	12	121.6908	1.393	15	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[5])	121.7577	0.935	3	121.6908	1.393	15	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[5a])	121.7715	0.131	2	121.7715	0.017	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[6])	121.7570	0.573	2	121.7570	0.328	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|Br<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[6a])	121.7010	0.213	4	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[6a])	121.9452	0.278	6	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|F<1>}	C(C[6a]C[6a]2)(CC[6a])	122.0245	1.469	2	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.3380	0.602	2	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6a])	121.7050	0.932	8	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	121.9498	0.677	16	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a])	121.7252	0.827	30	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	122.0125	1.079	4	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|Sn<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|F<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	123.1735	0.179	2	121.8404	0.609	74	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|O<2>}	C(C[6a]C[6a]2)(CH)	121.5095	0.310	2	121.5095	0.096	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CI)	121.4870	0.222	2	121.4870	0.049	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CPt)	122.1902	1.036	4	122.1902	1.074	4	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CRu)	122.7545	0.944	2	122.5417	0.305	6	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CRu)	122.4352	0.408	4	122.5417	0.305	6	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(F)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[3x6])	121.9778	0.812	4	121.9778	0.660	4	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)2(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a])	123.0350	0.000	1	121.9564	1.204	22	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)2(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a])	121.9050	1.097	21	121.9564	1.204	22	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)2(F)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]F)2(CC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CI)	120.7530	0.272	2	122.0323	1.155	64	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]C)2(F)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]F)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CI)	122.0735	1.066	62	122.0323	1.155	64	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)2(CC)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]C)(F)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)2(CC){1|Sn<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]C)(F){1|F<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	122.8730	0.091	2	122.8730	0.008	2	121.7389	1.136	241	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(NLi)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(NLi)	121.9445	0.134	2	121.9445	0.018	2	121.4335	0.483	4	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]F)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F)	C(C[6a]C[6a]2)(NW)	C[6a](C[6a]C[6a]F)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(NW)	120.9225	0.623	2	120.9225	0.388	2	121.4335	0.483	4	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CC){5|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(H){5|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.0305	0.366	2	120.0305	0.134	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC)	120.3400	0.000	1	120.2793	1.247	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	119.9868	1.246	4	120.2793	1.247	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	121.3890	0.000	1	120.2793	1.247	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.4820	0.000	1	120.1673	1.626	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.2565	0.233	2	120.1673	1.626	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.9085	0.397	2	120.1673	1.626	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.5095	1.124	4	120.1673	1.626	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.0523	0.619	3	120.1673	1.626	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CGe)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CGe)	119.6300	0.997	3	119.6300	0.993	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	119.4248	0.710	5	119.4248	0.504	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CP)	118.8077	0.832	3	118.8077	0.693	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CPt)	120.8222	0.475	4	120.8222	0.225	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	121.1360	0.000	1	121.1360	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6])	119.1570	0.000	1	119.4620	1.948	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6])	119.6145	1.938	2	119.4620	1.948	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	119.6315	0.743	13	119.6315	0.553	13	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CPt)	119.5490	0.000	1	119.5490	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	118.9400	0.853	2	119.2441	1.777	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CSi)	119.3658	1.555	5	119.2441	1.777	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	118.8465	0.648	2	118.8465	0.420	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CPt)	118.6960	0.460	4	118.6960	0.211	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CH)	119.8630	0.242	2	119.8630	0.058	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[5])	121.1190	0.000	1	121.1190	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3800	0.000	1	120.0657	0.077	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	119.9085	0.071	2	120.0657	0.077	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CH)	121.0070	0.000	1	121.0070	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	121.4720	0.000	1	120.9810	0.482	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	120.4900	0.000	1	120.9810	0.482	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|Br<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.6320	0.054	2	118.6320	0.003	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]2)(CC)	118.2690	0.000	1	118.2690	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]2)(CSi)	119.4460	0.000	1	119.4460	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]2)(CC)	116.3320	0.000	1	116.3320	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.8860	0.000	1	118.4737	1.390	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.4050	1.276	6	118.4737	1.390	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.2085	0.699	2	119.2085	0.489	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.7190	0.000	1	120.7190	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	119.9201	0.864	18	119.9201	0.747	18	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5])	120.1590	0.000	1	120.1590	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6])	120.8680	0.000	1	120.8680	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.4530	1.406	2	120.4653	1.408	21	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.2040	0.348	2	120.4653	1.408	21	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.2410	0.000	1	120.4653	1.408	21	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.3886	1.286	16	120.4653	1.408	21	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	120.0040	0.000	1	119.6910	0.196	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CH)	119.3780	0.000	1	119.6910	0.196	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CNi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CNi)	121.4390	0.000	1	121.4390	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CPt)	120.2297	1.159	8	120.2297	1.343	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	121.3580	0.000	1	121.3580	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CH)	119.7960	0.000	1	119.7960	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	116.8040	0.812	2	116.8040	0.659	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.6770	0.000	1	119.6770	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CH)	119.5230	0.000	1	119.5230	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C(C[6a]C[6a]2)(CH)	117.3660	0.000	1	117.3660	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CSi)	119.1255	0.555	2	119.0443	0.174	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C(C[6a]C[6a]2)(CSi)	118.8820	0.000	1	119.0443	0.174	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	120.1590	0.061	2	119.1506	2.162	11	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	118.4600	1.186	3	119.1506	2.162	11	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	119.1598	1.751	6	119.1506	2.162	11	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.6140	0.000	1	117.6800	3.126	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	117.1965	1.615	4	117.6800	3.126	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CPt)	121.6550	0.000	1	121.6550	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	118.8880	0.084	3	118.8880	0.007	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){2|C<3>}	C(C[6a]C[6a]2)(CC)	120.4830	0.000	1	120.4830	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.1745	0.330	2	120.1745	0.109	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.9395	1.019	4	118.9395	1.039	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|As<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CO)	113.4850	0.000	1	113.4850	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|B<3>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(CC[5])	118.0365	1.381	2	118.0365	1.907	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|B<3>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(CH)	117.5720	0.000	1	117.5720	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	119.9010	0.000	1	119.9010	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	117.9534	0.454	5	117.9534	0.206	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(H){1|B<3>,1|C<2>,1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CSi)	117.9340	0.000	1	117.9340	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|Br<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.3450	3.309	2	119.3450	10.951	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.6087	0.783	3	120.6087	0.613	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.7770	0.000	1	121.7770	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.7921	0.722	12	120.7921	0.521	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	123.3290	0.000	1	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC)	121.4193	0.840	6	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.7164	1.555	38	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(CC)	121.1190	1.155	2	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(CC)	121.7655	0.780	2	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(CC)	121.7933	0.548	4	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC)	119.8387	0.847	11	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(CC)	119.0550	0.000	1	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	120.3110	0.000	1	120.7516	2.020	66	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[4])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[4])	121.2885	0.336	6	121.2885	0.113	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5,6])	121.3800	0.122	4	121.3800	0.015	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.2527	1.435	7	120.1406	1.866	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	119.3560	0.000	1	120.1406	1.866	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5a])	117.2163	0.760	3	117.2163	0.577	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6,6])	121.0465	0.209	2	121.0465	0.044	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.2887	1.014	14	119.9423	1.790	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6])	117.5175	0.207	2	119.9423	1.790	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC[6a])	119.1610	0.567	12	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.2517	1.001	3	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC[6a])	121.3936	0.845	11	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.2109	1.961	89	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	119.9510	0.000	1	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.9220	0.527	16	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.1702	1.766	34	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	126.5625	0.375	2	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.5479	2.211	25	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	117.9160	0.096	2	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.2650	0.000	1	119.5775	4.005	196	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CH)	119.1778	0.946	4	119.3810	0.820	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.0895	0.837	2	119.3810	0.820	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	118.7770	0.000	1	119.3810	0.820	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CI)	119.7380	0.483	3	119.7380	0.233	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CIr)	119.6160	0.000	1	119.6160	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CP)	123.1260	0.829	2	123.1260	0.687	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPd)	121.2420	1.005	4	121.2420	1.011	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CPt)	119.3210	0.000	1	120.0547	2.633	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	120.4785	1.913	4	120.0547	2.633	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	119.0930	0.000	1	120.0547	2.633	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	118.8410	0.000	1	119.1991	0.464	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	119.4580	0.864	3	119.1991	0.464	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	118.9635	0.844	2	119.1991	0.464	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	118.6770	0.000	1	119.1991	0.464	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	119.7740	0.000	1	119.1991	0.464	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	119.8295	0.549	2	119.8295	0.302	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.4465	0.319	2	121.4465	0.102	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC)	121.4724	1.481	7	121.4724	2.194	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[5])	119.5538	0.672	4	119.5538	0.451	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6])	120.2993	0.962	4	120.2993	0.926	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.7280	0.000	1	120.0362	1.132	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.1561	1.039	16	120.0362	1.132	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.7310	0.281	2	120.0362	1.132	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CS)	120.6460	0.000	1	120.6460	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.8090	0.000	1	120.8090	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(CPd)	121.9480	1.264	2	121.9480	1.598	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|C<2>}	C(C[6a]C[6a]2)(CC)	120.7055	0.063	2	121.2396	2.274	49	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC)	120.0654	0.606	10	121.2396	2.274	49	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	119.8868	0.820	12	121.2396	2.274	49	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC)	118.8370	0.000	1	121.2396	2.274	49	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	122.1339	0.440	16	121.2396	2.274	49	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(CC)	123.3817	0.748	8	121.2396	2.274	49	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5])	116.7500	0.000	1	116.7500	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|C<2>}	C(C[6a]C[6a]2)(CC[6])	119.7447	0.576	4	120.1430	0.744	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC[6])	120.9395	0.907	2	120.1430	0.744	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|C<2>}	C(C[6a]C[6a]2)(CC[6a])	120.7050	0.389	2	119.1695	2.355	70	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC[6a])	118.6885	1.329	8	119.1695	2.355	70	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.9938	0.879	4	119.1695	2.355	70	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.1580	0.000	1	119.1695	2.355	70	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6912	0.805	4	119.1695	2.355	70	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.9813	1.577	51	119.1695	2.355	70	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CH)	118.9142	0.665	9	118.9142	0.443	9	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CI)	118.5930	0.000	1	118.5930	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CPt)	119.6440	0.000	1	119.6440	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CRu)	120.7215	0.402	2	119.7657	2.822	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CRu)	117.8540	0.000	1	119.7657	2.822	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CS)	119.3373	0.274	6	119.3373	0.075	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CSe)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CSe)	119.3890	0.654	4	119.3890	0.428	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	118.6155	0.226	2	118.6614	1.029	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	117.1900	0.000	1	118.6614	1.029	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	118.3040	0.000	1	118.6614	1.029	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	119.1415	1.145	4	118.6614	1.029	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|Si<4>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)(H){1|C<3>,2|C<2>}	C(C[6a]C[6a]2)(CSi)	120.4570	0.000	1	120.4570	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC){1|Co<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	125.1630	0.000	1	125.1630	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	118.5660	0.403	2	118.5660	0.162	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.2030	0.000	1	118.2030	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|Ge<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	119.6510	0.000	1	119.9480	0.176	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.2450	0.000	1	119.9480	0.176	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	119.4830	0.393	2	119.4830	0.155	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.7860	0.000	1	118.7860	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.3918	0.719	4	119.3918	0.517	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C(C[6a]C[6a]2)(CH)	117.0650	0.000	1	117.0650	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CH)	119.1760	0.000	1	119.1760	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|I<1>}	C(C[6a]C[6a]2)(CC)	120.4745	0.134	2	120.4745	0.018	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(CC[3x6])	120.3390	0.153	2	120.3390	0.023	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5,5])	120.8980	0.000	1	120.8980	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.0480	0.000	1	121.0480	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.2980	0.000	1	121.2980	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CH)	120.9980	0.000	1	120.9980	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|Br<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6710	0.000	1	121.3163	0.422	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[6a])	121.6230	0.434	2	121.3163	0.422	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a])	121.3270	0.812	3	121.3163	0.422	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CI)	120.3960	1.100	2	120.3960	1.211	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[5])	122.4868	0.984	8	122.4868	0.969	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[6a])	122.7820	0.455	2	122.2470	0.962	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a])	121.1770	0.000	1	122.2470	0.962	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CH)	121.8890	0.000	1	121.8890	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|C<3>,1|F<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6a])	119.8790	0.000	1	119.8790	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6])	118.7240	0.926	8	118.7240	0.858	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6a])	119.1020	0.513	2	119.1020	0.264	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6])	120.9130	0.628	2	120.9130	0.394	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CAu)	120.6840	0.096	2	120.6840	0.009	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC)	120.9150	0.000	1	119.3223	3.126	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC)	119.1453	1.779	9	119.3223	3.126	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[5a])	118.8875	0.329	2	118.8875	0.108	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a])	119.3060	0.000	1	120.7840	4.162	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	121.2246	2.207	10	120.7840	4.162	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	C(C[6a]C[6a]2)(CC[6a])	119.8080	1.283	3	120.7840	4.162	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CH)	121.1473	0.523	3	120.9905	0.281	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(CH)	120.5200	0.000	1	120.9905	0.281	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CSi)	120.0500	4.760	2	120.0500	22.660	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(CC[5])	119.0245	2.454	2	119.0245	6.024	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	122.8370	0.000	1	122.8370	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<4>}	C(C[6a]C[6a]2)(CSi)	118.2890	0.000	1	118.2890	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(CH)	116.7175	0.357	2	116.7175	0.128	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC)	118.8348	0.963	6	118.8348	0.928	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6])	119.1455	1.014	4	119.1455	1.029	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	119.2844	0.732	8	119.3293	1.102	23	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a])	118.8277	1.381	3	119.3293	1.102	23	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	119.4846	1.192	12	119.3293	1.102	23	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	122.4160	0.000	1	122.4160	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	123.2425	0.962	2	123.2425	0.926	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	121.6900	0.000	1	121.6900	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[5])	120.8530	0.000	1	120.8530	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6])	119.7200	2.003	3	119.7200	4.013	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	119.4997	1.156	3	119.5973	7.261	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	122.1017	1.110	3	119.5973	7.261	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	116.5110	0.000	1	119.5973	7.261	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	114.0490	0.000	1	119.5973	7.261	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.3045	0.250	2	119.5973	7.261	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CH)	120.1960	0.000	1	120.1960	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CPt)	121.2830	0.000	1	121.2830	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC)	120.9560	0.137	2	120.9560	0.019	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.8155	1.102	2	120.5828	0.680	17	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.5518	0.826	15	120.5828	0.680	17	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CH)	119.9633	0.436	4	119.9153	0.142	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(CH)	119.8195	0.334	2	119.9153	0.142	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CPd)	120.6570	0.000	1	120.6570	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CRu)	120.8403	0.493	3	120.8403	0.243	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CSi)	120.2950	0.525	2	120.2950	0.275	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	118.6970	0.385	2	118.6970	0.148	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	122.4571	1.405	8	121.5765	2.857	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	119.6680	0.436	2	121.5765	2.857	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	121.1255	1.383	4	121.5765	2.857	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	121.6532	2.188	4	121.5765	2.857	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	119.8460	0.000	1	121.5765	2.857	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.8405	1.660	2	120.8405	2.754	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	C(C[6a]C[6a]2)(CC[6a])	119.9570	0.000	1	119.9570	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC)	119.7010	0.000	1	119.7010	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a])	120.6770	0.000	1	119.7930	0.588	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(CC[6a])	119.3510	0.055	2	119.7930	0.588	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(CH)	119.2300	0.000	1	119.2300	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC)	C[6a](C[6a]B[6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC){1|B<3>,1|C<4>,1|H<1>}	C[6a](C[6a]B[6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(CC)	118.3405	1.149	2	118.3405	1.320	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC)	123.6920	0.205	2	123.6920	0.042	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CAu)	122.8891	1.513	8	122.8891	2.289	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC)	121.5420	0.000	1	122.5253	1.464	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC)	122.7220	1.241	5	122.5253	1.464	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[5])	121.8878	1.177	5	121.8878	1.385	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[5a])	122.6770	0.634	2	122.6770	0.401	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a])	122.0916	1.475	5	121.9480	1.258	38	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	122.1700	0.000	1	121.9480	1.258	38	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.9186	1.102	32	121.9480	1.258	38	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CFe)	121.7215	0.169	2	122.1846	1.042	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CFe)	121.7470	0.288	2	122.1846	1.042	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	123.9860	0.000	1	122.1846	1.042	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CGe[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CGe[5])	122.4485	0.715	2	122.4485	0.511	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CH)	122.4910	0.000	1	122.4910	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CPt)	123.0201	1.325	15	123.0052	1.590	17	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	122.8930	0.908	2	123.0052	1.590	17	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CRu)	122.3142	1.817	10	122.3142	3.302	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CSi)	123.3360	0.000	1	123.3360	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.8428	0.675	5	121.8428	0.456	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC)	123.7665	0.019	2	123.7665	0.000	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.3758	0.749	5	121.8903	2.037	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	124.4630	0.000	1	121.8903	2.037	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(CC[6a])	121.8580	0.000	1	121.8580	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(CC[6])	118.7047	0.571	3	118.7047	0.326	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	121.8280	0.706	2	121.1368	1.681	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a])	121.6110	0.730	2	121.1368	1.681	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.9715	1.804	2	121.1368	1.681	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<6>,1|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C(C[6a]C[6a]2)(CH)	119.3760	0.000	1	119.3760	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	113.7186	0.214	8	113.7186	0.046	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	121.9300	0.000	1	121.9300	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.4785	1.323	2	119.4785	1.750	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	120.7658	0.548	12	120.7658	0.300	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.5860	1.099	2	120.5860	1.207	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	120.6880	0.000	1	120.6880	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CGe[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CGe[5])	120.3045	0.627	2	120.3045	0.393	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	119.8605	0.712	4	119.8605	0.507	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CRu)	121.0165	0.697	2	121.0165	0.485	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAl)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CAl)	120.9165	0.139	6	120.7614	0.816	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAl)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CAl)	120.6684	1.151	10	120.7614	0.816	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CAu)	121.2224	0.644	10	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CAu)	121.0204	0.810	14	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CAu)	120.8778	0.739	10	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CAu)	120.2253	1.468	8	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CAu)	121.1426	0.484	12	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CAu)	121.3987	0.753	10	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(CAu)	120.8040	0.270	2	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CAu)	120.8333	0.978	59	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CAu)	121.1990	0.528	2	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CAu)	121.1660	1.084	12	120.9493	0.853	139	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CB)	120.7650	0.592	44	120.7650	0.351	44	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CB[3x6])	120.8095	1.292	2	120.8275	0.682	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CB[3x6])	120.8455	0.613	2	120.8275	0.682	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[5,5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CB[5,5])	120.6497	1.047	4	120.6497	1.096	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CB[5])	120.7120	1.161	6	120.7120	1.348	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CB[5a])	120.6335	0.432	2	120.9120	2.275	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CB[5a])	121.1415	0.291	2	120.9120	2.275	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CB[5a])	120.9365	2.265	4	120.9120	2.275	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CB[6])	120.7950	0.915	4	120.9486	0.664	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CB[6])	121.1262	0.554	8	120.9486	0.664	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CB[6])	120.7467	1.264	4	120.9486	0.664	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CB[6a])	120.5120	0.512	2	120.5120	0.262	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.1905	0.036	2	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.8260	0.964	14	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.7255	0.071	2	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.2690	0.000	1	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	121.9273	0.955	4	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	121.1595	0.210	2	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.6455	0.747	16	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.5217	0.918	86	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.7675	0.909	42	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.6074	0.992	14	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC)	120.2430	0.846	2	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC)	120.6958	0.995	59	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	120.9461	0.765	42	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC)	120.7510	0.767	6	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(CC)	119.7430	0.000	1	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.4968	0.951	481	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.4847	1.189	10	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	120.6181	1.227	59	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	121.0510	0.000	1	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	119.4973	0.839	3	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	122.1675	0.524	2	120.5752	0.937	849	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[3])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[3])	120.6675	1.838	2	120.8413	1.043	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[3])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[3])	120.8992	0.877	6	120.8413	1.043	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[3x4])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[3x4])	120.4915	1.022	2	120.4915	1.044	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[3x6])	120.3470	0.615	2	120.6310	1.447	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[3x6])	120.3840	2.616	2	120.6310	1.447	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[3x6])	120.7618	0.957	4	120.6310	1.447	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[3x6])	120.9005	1.597	2	120.6310	1.447	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[4])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[4])	120.8160	1.660	2	120.5430	1.128	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[4])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[4])	120.4065	0.942	4	120.5430	1.128	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[4a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[4a])	120.1670	0.805	2	120.1670	0.648	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5,6])	120.7185	0.970	28	120.7175	1.255	36	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[5,6])	121.0605	0.911	2	120.7175	1.255	36	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5,6])	120.5320	2.365	4	120.7175	1.255	36	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5,6])	120.7305	0.721	2	120.7175	1.255	36	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.8505	1.006	2	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	121.0290	0.431	2	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[5])	120.9420	0.144	3	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[5])	120.9010	0.000	1	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.6718	0.543	8	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.6450	0.601	2	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.6402	1.690	22	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.7758	1.331	12	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	121.0770	0.209	2	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.5795	0.985	2	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[5])	120.6591	0.655	12	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[5])	120.4360	0.335	2	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC[5])	120.4778	1.092	8	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.4900	1.273	85	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.3550	1.310	4	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5])	120.5901	0.927	12	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.5750	0.000	1	120.5788	1.404	180	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5a])	120.4895	1.588	4	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[5a])	120.7706	1.063	23	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[5a])	120.4826	0.430	8	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[5a])	121.1685	0.664	4	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[5a])	120.8864	0.788	16	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<6>}	C(C[6a]C[6a]2)(CC[5a])	120.7190	1.196	2	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5a])	120.5553	1.010	113	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[5a])	120.4925	1.513	12	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[5a])	121.1110	0.000	1	120.6208	1.039	183	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	118.2350	0.000	1	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.3975	0.901	22	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6])	121.3780	0.000	2	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.1325	0.525	4	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.8710	0.424	2	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.4582	1.721	22	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.7693	0.502	10	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6])	121.1400	3.205	2	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6])	121.9655	8.294	4	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6])	121.1125	1.365	4	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC[6])	120.1345	1.415	2	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.3813	0.818	114	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.9080	0.355	4	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6])	120.6406	1.007	18	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	122.9087	0.776	3	120.5233	2.069	214	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	122.5290	0.260	4	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.9884	0.845	24	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.4070	0.000	1	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6790	0.831	3	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	121.3630	0.000	1	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	121.3800	0.000	1	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.4560	1.006	3	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.9605	1.252	2	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.9620	0.000	1	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.5859	0.680	8	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.9200	0.000	1	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.5163	0.532	3	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.5835	0.813	143	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.7534	0.875	98	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.7293	1.182	14	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.8480	0.479	2	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.4783	0.794	6	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6402	0.325	6	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a])	120.4298	1.118	20	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	120.9351	1.234	207	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.9002	0.909	102	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a])	120.7461	1.294	16	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(CC[6a])	120.4700	1.294	2	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<6>}	C(C[6a]C[6a]2)(CC[6a])	120.7085	1.634	2	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.4931	0.856	421	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6580	1.532	4	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.5126	1.258	161	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6652	1.140	17	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.6870	0.755	2	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	122.5000	2.511	4	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.1808	3.217	31	120.7013	1.324	1310	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCo)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CCo)	121.4313	0.340	4	121.0516	0.206	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCo)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CCo)	120.9300	0.561	2	121.0516	0.206	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCo)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CCo)	120.6935	0.344	2	121.0516	0.206	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCo)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CCo)	120.7720	0.235	2	121.0516	0.206	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CCr)	120.9916	0.752	8	120.9916	0.566	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CCu)	121.1125	1.536	4	121.1125	2.359	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	121.0378	0.988	4	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	119.8210	0.000	1	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	121.7203	1.190	3	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	122.6135	0.026	2	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CFe)	121.0735	0.952	6	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CFe)	121.2309	0.842	8	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CFe)	121.2303	0.657	12	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CFe)	121.4630	0.419	4	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	C(C[6a]C[6a]2)(CFe)	121.0785	1.328	6	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	C(C[6a]C[6a]2)(CFe)	121.4401	1.426	8	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	120.8532	0.824	28	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CFe)	121.2822	2.377	6	121.1459	1.162	88	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CGe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CGe)	120.5920	0.554	4	120.5920	0.307	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CGe[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CGe[5])	119.8650	0.776	2	120.3719	1.001	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CGe[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CGe[5])	120.3980	1.192	4	120.3719	1.001	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CGe[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CGe[5])	120.6402	0.882	6	120.3719	1.001	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CGe[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CGe[5])	120.0215	1.753	2	120.3719	1.001	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CGe[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CGe[5a])	120.6420	0.501	2	120.6420	0.251	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CGe[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CGe[6])	120.5183	0.153	3	120.5183	0.023	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.7597	0.789	4	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<6>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	121.3420	0.000	1	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.9095	0.383	4	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.7477	0.118	4	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CH)	120.0613	0.313	3	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.7325	0.517	34	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	120.2830	0.000	1	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	121.2425	0.098	2	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.7926	0.890	16	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.6133	0.832	70	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.7563	0.725	22	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.5075	0.441	2	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.3585	0.169	2	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CH)	120.5274	0.926	10	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CH)	121.0516	0.786	53	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CH)	120.6485	0.330	4	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	C(C[6a]C[6a]2)(CH)	120.1470	0.528	2	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CH)	120.7763	0.716	6	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<3>}	C(C[6a]C[6a]2)(CH)	120.2580	0.918	2	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(CH)	120.1745	0.403	4	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	119.7561	2.077	20	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	120.6939	0.782	97	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.5535	0.599	6	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CH)	119.9400	0.000	1	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.7170	0.000	1	120.6712	0.811	371	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CI)	120.8224	0.762	8	120.9148	0.793	45	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CI)	121.0470	0.979	24	120.9148	0.793	45	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CI)	120.8400	0.897	2	120.9148	0.793	45	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	C(C[6a]C[6a]2)(CI)	120.2790	1.215	2	120.9148	0.793	45	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CI)	120.4776	0.555	5	120.9148	0.793	45	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CI)	121.2087	0.947	4	120.9148	0.793	45	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CI[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CI[5])	120.0325	0.199	2	120.0325	0.039	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CIr)	121.1265	0.432	2	121.1157	0.963	26	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CIr)	121.1148	1.019	24	121.1157	0.963	26	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CMg)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CMg)	120.9832	0.942	12	120.9832	0.888	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CMo)	121.2562	0.488	8	121.2199	0.304	18	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CMo)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CMo)	121.1908	0.621	10	121.2199	0.304	18	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CN)	120.7800	1.399	2	120.3144	1.927	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>}	C(C[6a]C[6a]2)(CN)	120.1139	1.611	8	120.3144	1.927	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN)	120.4825	1.164	4	120.3144	1.927	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CN[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[5a])	120.3890	0.721	6	120.3890	0.519	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CNb[3,3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CNb[3,3x6])	120.9545	0.551	2	120.9545	0.303	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CNi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CNi)	121.1137	0.976	4	120.9952	0.985	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CNi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CNi)	121.1335	2.791	2	120.9952	0.985	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CNi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CNi)	120.9202	0.665	10	120.9952	0.985	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(COs)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(COs)	121.5716	1.288	10	121.5716	1.659	10	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CP)	120.1842	1.822	4	120.3889	1.500	72	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CP)	120.7969	0.788	12	120.3889	1.500	72	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CP)	120.3161	1.260	56	120.3889	1.500	72	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CP[4])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CP[4])	120.5097	0.558	8	120.5097	0.312	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CP[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CP[5])	120.8995	1.131	2	120.8995	1.278	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPb)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPb)	120.9195	0.090	2	120.9195	0.008	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CPd)	121.3392	0.071	4	121.2800	0.106	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CPd)	121.6875	0.074	2	121.2800	0.106	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPd)	121.1047	0.351	6	121.2800	0.106	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	121.0241	0.723	12	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	121.5560	0.707	2	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	120.7590	0.000	1	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	121.3589	1.101	9	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	119.4440	0.000	1	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	120.9543	0.976	41	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	121.3221	0.802	74	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	121.1159	0.908	8	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CPt)	121.0125	0.894	2	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CPt)	121.0300	2.225	2	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CPt)	121.3127	1.448	24	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CPt)	121.2560	1.126	2	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CPt)	121.0698	0.318	6	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	120.9837	1.111	134	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CPt)	121.2215	0.982	33	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	121.1000	0.000	1	121.1121	1.053	352	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CRe)	121.5690	0.977	4	121.5690	0.955	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CRh)	121.0070	1.614	2	121.0728	0.826	20	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CRh)	121.1260	1.196	8	121.0728	0.826	20	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CRh)	121.0434	0.581	10	121.0728	0.826	20	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CRu)	122.6305	0.661	2	121.2442	2.213	103	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CRu)	121.0901	1.121	20	121.2442	2.213	103	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CRu)	121.4421	1.432	14	121.2442	2.213	103	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CRu)	121.1740	0.527	4	121.2442	2.213	103	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CRu)	121.3217	0.641	16	121.2442	2.213	103	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CRu)	121.5320	0.623	4	121.2442	2.213	103	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CRu)	121.1131	2.186	33	121.2442	2.213	103	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CRu)	121.2196	0.930	10	121.2442	2.213	103	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CS)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CS)	120.1420	1.150	2	120.4399	0.488	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CS)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CS)	120.6120	0.466	4	120.4399	0.488	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CS)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CS)	120.3421	0.813	8	120.4399	0.488	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CS)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CS)	120.7845	0.333	2	120.4399	0.488	16	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSc)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSc)	120.8817	0.857	4	120.8817	0.734	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CSe)	120.8515	0.093	2	121.1063	0.099	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSe)	121.3610	0.170	2	121.1063	0.099	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	118.6570	0.000	1	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	120.5450	0.000	1	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	120.6120	1.629	6	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	120.7645	0.201	4	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	120.6735	0.176	2	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CSi)	120.6902	0.669	6	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CSi)	120.9192	0.836	24	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	120.5173	0.690	41	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CSi)	120.6393	1.166	26	120.6425	0.830	111	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi[5])	120.4085	0.608	14	120.4085	0.370	14	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSn)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSn)	121.0560	1.582	12	121.0560	2.504	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CTe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CTe)	120.7450	1.400	2	120.7450	1.960	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CTh)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CTh)	121.1873	0.786	4	121.1873	0.618	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CU)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CU)	121.2294	1.632	8	121.2294	2.663	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CW)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CW)	121.6502	1.714	6	121.6502	2.938	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CZn)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CZn)	121.4871	0.703	8	120.8591	0.942	36	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CZn)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CZn)	120.6796	0.971	28	120.8591	0.942	36	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	121.6530	0.000	1	120.2934	1.653	9	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.3985	0.037	2	120.2934	1.653	9	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.3652	1.396	6	120.2934	1.653	9	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	119.4930	0.000	1	120.1024	0.299	9	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.1786	0.531	8	120.1024	0.299	9	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	119.9285	0.595	4	119.7458	0.181	40	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CH)	120.1640	0.030	2	119.7458	0.181	40	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	119.7023	0.413	33	119.7458	0.181	40	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	119.6120	0.000	1	119.7458	0.181	40	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CI)	120.2950	1.366	4	120.2950	1.866	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	120.5080	0.000	1	120.5080	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	119.3740	0.000	1	119.3740	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CAu)	120.1801	0.970	8	120.1801	0.941	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	119.7555	2.073	2	119.7555	4.295	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[3x6])	119.7485	0.235	2	119.7485	0.055	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[5])	120.1963	0.331	3	120.1037	0.107	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[5])	119.8260	0.000	1	120.1037	0.107	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	121.2635	0.957	2	119.9991	1.191	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6])	119.2500	0.000	2	119.9991	1.191	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	119.7415	0.972	4	119.9991	1.191	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.4965	1.479	4	119.6313	1.255	48	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.5530	0.000	1	119.6313	1.255	48	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.1837	0.882	3	119.6313	1.255	48	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.0135	1.251	2	119.6313	1.255	48	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	119.5110	0.433	6	119.6313	1.255	48	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.5168	1.196	31	119.6313	1.255	48	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.0960	0.000	1	119.6313	1.255	48	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	118.8890	0.300	2	118.8890	0.090	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	119.7160	1.037	9	120.0223	3.041	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CPt)	120.2980	2.224	10	120.0223	3.041	19	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.6340	0.000	1	119.6340	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	119.9893	2.156	3	119.7988	2.432	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	119.5130	0.402	2	119.7988	2.432	5	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]2)(CAl)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CAl)	121.2955	0.705	2	121.2955	0.497	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]2)(CGa)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CGa)	121.5795	0.235	2	121.5795	0.055	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.9730	0.069	2	120.9730	0.005	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CAu)	121.5010	0.226	2	121.5010	0.051	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	121.0460	0.931	28	121.0460	0.867	28	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[3x6])	121.3090	1.030	2	121.3090	1.060	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	121.5745	0.173	2	121.5745	0.030	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5a])	121.4418	0.971	12	121.4418	0.943	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	121.5345	1.405	6	121.5345	1.975	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.1383	0.486	6	121.2030	0.990	212	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.2079	1.008	205	121.2030	0.990	212	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|Pt<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.5710	0.000	1	121.2030	0.990	212	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	121.1140	1.157	4	121.1140	1.339	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	121.9256	1.061	24	121.9256	1.126	24	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CRh)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CRh)	121.8685	0.849	12	121.8685	0.721	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CRu)	122.2769	0.672	8	122.2769	0.452	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CAu)	120.4760	1.762	4	120.3706	1.999	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CAu)	120.2652	1.238	4	120.3706	1.999	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.5224	0.764	14	119.8741	1.204	35	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.8575	0.552	6	119.8741	1.204	35	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC)	120.1425	0.892	2	119.8741	1.204	35	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.1060	1.327	2	119.8741	1.204	35	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	122.0663	0.753	3	119.8741	1.204	35	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	118.7310	0.334	2	119.8741	1.204	35	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.8292	1.341	6	119.8741	1.204	35	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[3x6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[3x6])	120.3512	0.991	12	120.3512	0.982	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[5,5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5,5])	120.0888	1.184	4	120.0888	1.401	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.1670	0.432	4	120.1670	0.187	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5a])	120.1333	1.191	6	120.2736	1.319	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[5a])	121.1150	0.000	1	120.2736	1.319	7	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	119.8327	1.147	22	119.9009	2.118	38	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	119.8425	0.849	2	119.9009	2.118	38	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	119.9980	2.049	12	119.9009	2.118	38	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.1270	1.864	2	119.9009	2.118	38	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	119.1770	0.315	4	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.7252	0.977	23	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.8773	1.880	4	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3751	1.442	8	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.8060	0.000	1	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.5330	0.000	1	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.1452	1.198	32	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3070	0.656	2	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a])	120.0622	0.948	6	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|P<3>}	C(C[6a]C[6a]2)(CC[6a])	120.5373	0.477	8	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|P<4>}	C(C[6a]C[6a]2)(CC[6a])	120.9048	0.818	4	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.0380	0.566	2	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.4437	1.474	4	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.7427	0.567	6	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	117.2135	0.791	2	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.1943	0.842	21	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.4010	0.000	1	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){3|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.4756	0.384	18	120.1331	1.095	147	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	120.9372	0.884	4	120.7650	0.780	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CFe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CFe)	120.4205	1.095	2	120.7650	0.780	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	119.9342	0.696	4	120.3062	0.515	24	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.1765	0.707	12	120.3062	0.515	24	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	121.1020	1.250	2	120.3062	0.515	24	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.4240	0.363	2	120.3062	0.515	24	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CH)	121.1820	0.000	1	120.3062	0.515	24	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.1210	0.000	1	120.3062	0.515	24	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){3|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.5690	0.464	2	120.3062	0.515	24	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CI)	120.0427	0.916	4	120.0427	0.840	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	119.9360	0.151	2	120.7338	0.928	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	121.0592	0.756	4	120.7338	0.928	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	120.8805	1.737	2	120.7338	0.928	8	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CRe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CRe)	121.4330	1.633	2	121.4330	2.668	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CRu)	120.6405	1.033	2	120.9230	0.467	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)2(CC){3|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CRu)	121.2055	0.125	2	120.9230	0.467	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	121.7910	0.000	1	120.8093	1.208	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	120.3185	0.985	2	120.8093	1.208	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.3835	0.354	2	119.3835	0.126	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	119.1965	2.194	2	119.1965	4.814	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.9890	0.673	2	119.9890	0.453	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(CPt)	119.8700	0.000	1	119.8700	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.5920	0.000	1	119.5920	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)2(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	119.4860	0.000	1	119.4860	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CCr)	C[6a](C[6a]C[6a]H)2(CC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CCr)	120.0397	0.502	4	120.0397	0.252	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C(C[6a]C[6a]2)(CC)	119.5498	1.190	4	119.5498	1.416	4	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(CH)	121.2090	0.000	1	121.2090	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.5719	0.651	7	120.6880	0.890	21	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.7460	1.079	14	120.6880	0.890	21	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(CPt)	121.7890	0.342	2	121.7890	0.117	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]N[6a]Pt)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(CC){1|Pt<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Pt)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.1210	0.000	1	119.1210	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CPt)	120.0020	0.000	1	120.0020	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.0445	1.428	6	120.0445	2.040	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	118.8543	1.069	3	118.8543	1.142	3	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	120.1483	1.141	6	120.1483	1.303	6	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSn)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSn)	119.4386	0.589	12	119.4386	0.347	12	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CC){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	121.8935	0.623	2	121.8935	0.388	2	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){2|Cl<1>,1|N<2>}	C(C[6a]C[6a]2)(CH)	121.0900	0.000	1	121.0900	0.000	1	120.6029	1.672	6453	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NH)	118.2990	0.000	1	118.2990	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NMg)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NMg)	118.8160	0.000	1	118.8160	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NRh)	119.3420	0.354	2	119.3420	0.125	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRu)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NRu)	118.8090	0.000	1	118.8090	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NSn)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NSn)	117.9505	0.285	2	117.9505	0.081	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NO)	119.7920	0.000	1	119.7920	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NB)	119.1390	0.000	1	119.1390	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NCo)	120.7420	0.000	1	120.7420	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NEr)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NEr)	117.9890	0.000	1	117.9890	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NN)	117.4650	0.000	1	117.4650	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NZn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NZn)	118.1630	1.060	3	118.1630	1.124	3	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NN)	118.0810	0.000	1	118.0810	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a])	120.0310	0.000	1	120.0310	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a])	118.8370	0.000	1	118.8370	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NRh)	123.4700	0.000	1	123.4700	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NO)	118.7450	0.000	1	118.7450	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NAg)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NAg)	119.6170	0.481	2	119.8012	0.184	4	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NAg)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NAg)	119.9855	0.431	2	119.8012	0.184	4	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NAs)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NAs)	119.2180	0.000	1	119.2180	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NB)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NB)	119.0330	0.000	1	119.0330	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(NC[6])	120.8000	0.105	2	120.8000	0.011	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NCe)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NCe)	119.9960	1.269	2	119.9960	1.609	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NCo)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NCo)	119.5195	0.260	2	119.5195	0.067	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NCu)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NCu)	119.5192	1.235	6	119.6464	1.343	14	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NCu)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NCu)	119.5765	0.354	2	119.6464	1.343	14	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NCu)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NCu)	119.7968	1.376	6	119.6464	1.343	14	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NEu)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NEu)	119.2120	0.539	2	119.2120	0.290	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NFe)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NFe)	120.3595	0.732	4	120.1705	0.476	6	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NFe)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NFe)	119.7925	0.588	2	120.1705	0.476	6	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NH)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NH)	118.4570	0.229	2	118.4570	0.052	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NIr)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NIr)	119.2410	0.416	2	119.2410	0.173	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NLa)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NLa)	119.7605	0.084	2	119.7605	0.007	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NMo)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NMo)	119.5180	0.546	2	119.5180	0.298	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NNi)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NNi)	119.0850	0.069	2	119.0850	0.005	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NO)	120.5730	0.000	1	120.1280	0.396	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NO)	119.6830	0.000	1	120.1280	0.396	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NOs)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NOs)	120.1463	1.383	4	119.7512	1.190	10	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NOs)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NOs)	119.4878	0.886	6	119.7512	1.190	10	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NPd)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NPd)	119.3734	1.056	8	119.4466	1.244	10	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NPd)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NPd)	119.7395	1.784	2	119.4466	1.244	10	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NPt)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NPt)	119.7038	1.792	6	119.7038	3.212	6	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRe)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NRe)	120.1865	1.323	2	120.1865	1.750	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NRh)	121.0820	0.000	1	120.3465	1.045	4	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NRh)	120.1013	1.099	3	120.3465	1.045	4	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRu)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NRu)	120.0273	1.598	6	119.9175	1.825	24	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRu)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NRu)	119.8808	1.309	18	119.9175	1.825	24	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NSm)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NSm)	119.6790	0.734	2	119.6790	0.539	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NTh)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NTh)	119.0590	0.000	1	119.0590	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NU)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NU)	117.7660	0.699	2	117.7660	0.488	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NV)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NV)	119.7715	1.070	2	119.7715	1.145	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NW)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NW)	119.2965	1.104	6	119.2965	1.220	6	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NZn)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NZn)	120.1060	1.849	4	119.8805	1.803	20	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NZn)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NZn)	119.4838	1.165	4	119.8805	1.803	20	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NZn)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NZn)	119.9376	1.317	12	119.8805	1.803	20	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(NNi)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NNi)	119.2715	0.511	4	119.2715	0.261	4	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NRh)	117.8960	0.000	1	117.8960	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(NTh)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NTh)	118.7150	0.000	1	118.7150	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(NYb)	C[6a](C[6a]C[6a]H)2(CN){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(NYb)	119.5695	0.197	2	119.5695	0.039	2	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NRh)	119.5030	0.000	1	119.5030	0.000	1	119.5942	1.383	164	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC)	120.8972	0.912	8	120.8972	0.832	8	120.8972	0.832	8	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(SC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(SC[6])	117.9470	0.088	2	117.9470	0.008	2	117.9470	0.008	2	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(I)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(I){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC)	123.4727	0.958	3	123.4727	0.917	3	122.1683	1.255	17	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(I)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(I){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a])	122.0117	0.717	3	122.0117	0.515	3	122.1683	1.255	17	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	121.9913	1.168	8	121.9913	1.365	8	122.1683	1.255	17	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|C<3>,1|F<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.0620	0.000	1	121.0620	0.000	1	122.1683	1.255	17	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	C[6a](C[6a]C[6a]C)2(I)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.7080	0.762	2	121.7080	0.581	2	122.1683	1.255	17	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.4010	0.000	1	118.4010	0.000	1	118.6523	0.200	3	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(CC)	118.7780	0.553	2	118.7780	0.306	2	118.6523	0.200	3	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CC)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CC){1|B<4>,1|C<3>,1|H<1>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a])	119.1230	0.528	2	119.1230	0.278	2	119.1230	0.278	2	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	123.0408	0.417	4	123.0408	0.174	4	122.7419	0.265	8	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(CH)	122.3020	0.643	2	122.3020	0.414	2	122.7419	0.265	8	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C(C[6a]C[6a]2)(CC)	122.5840	0.354	2	122.5840	0.125	2	122.7419	0.265	8	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C(C[6a]C[6a]N[6a])(CPt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CPt)	121.0710	0.000	1	121.0710	0.000	1	122.3660	0.960	4	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC)	123.4490	0.000	1	123.4490	0.000	1	122.3660	0.960	4	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	122.4720	0.088	2	122.4720	0.008	2	122.3660	0.960	4	120.6306	1.856	7405	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Br-1:	N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br)	C(N[5]C[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]F)2(CN[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F)	C(C[6a]C[6a]2)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]F)2(CN[5a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)	122.1260	0.168	2	122.1260	0.028	2	122.1260	0.028	2	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAg2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CAg2)	120.7720	1.125	4	120.7720	1.265	4	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAgPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CAgPt)	121.2445	0.586	2	121.2445	0.344	2	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CAlGe)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CAlGe)	120.4385	0.066	2	120.4385	0.004	2	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CB[5]C)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CB[5]C)	120.8655	0.221	2	120.8655	0.049	2	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CCN)	120.7140	5.699	2	120.7140	32.482	2	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCdPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CCdPt)	120.5585	0.894	2	120.9268	6.806	22	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCdPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CCdPt)	120.9637	2.732	20	120.9268	6.806	22	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCu2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CCu2)	121.0160	0.387	2	120.9266	0.169	8	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCu2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CCu2)	120.8968	0.449	6	120.9266	0.169	8	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CMg2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CMg2)	120.1898	0.291	4	120.1898	0.085	4	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CNO)	120.8135	0.357	4	120.8135	0.127	4	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CSn2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSn2)	120.3175	0.626	2	120.3175	0.392	2	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(C[6a]C[6a]2)(CAgPt)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CAgPt)	119.9585	1.627	2	119.9585	2.647	2	120.7774	3.565	54	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)	120.7745	1.030	2	120.7745	1.061	2	120.7745	1.061	2	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]Cu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a]Cu)	117.5000	0.000	1	117.5000	0.000	1	117.9849	6.083	11	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a]Co)	116.6463	0.620	3	116.6463	0.384	3	117.9849	6.083	11	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a]Pd)	117.2180	0.000	1	117.2180	0.000	1	117.9849	6.083	11	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NMnO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NMnO)	118.3250	0.000	1	118.3250	0.000	1	117.9849	6.083	11	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NNiO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<3>}	C(C[6a]C[6a]2)(NNiO)	115.0200	0.000	1	115.0200	0.000	1	117.9849	6.083	11	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(H)	C(C[6a]C[6a]2)(NZnC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<3>}	C(C[6a]C[6a]2)(NZnC)	115.5850	0.000	1	115.5850	0.000	1	117.9849	6.083	11	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NCS)	120.6165	0.235	2	120.6165	0.055	2	117.9849	6.083	11	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NIrC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NIrC)	123.0140	0.000	1	123.0140	0.000	1	117.9849	6.083	11	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(CN[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CN[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)	120.8840	1.196	4	120.8840	1.430	4	120.8840	1.430	4	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(SIrC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(SIrC)	121.4650	0.000	1	121.4650	0.000	1	121.4650	0.000	1	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)	121.8130	0.000	1	121.8130	0.000	1	120.1477	6.643	6	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5])	C[6a](C[6a]C[6a]C)2(H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)	116.5390	0.000	1	116.5390	0.000	1	120.1477	6.643	6	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(CN[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)	120.1755	2.962	2	120.1755	8.774	2	120.1477	6.643	6	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(CN[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)	121.0915	2.620	2	121.0915	6.864	2	120.1477	6.643	6	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(CN[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)	120.0930	0.000	1	120.0930	0.000	1	120.1115	0.001	2	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(CN[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)	120.1300	0.000	1	120.1300	0.000	1	120.1115	0.001	2	120.4106	4.548	83	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CH3)	121.6290	0.000	1	121.6290	0.000	1	120.7481	37.102	38	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCHN)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CCHN)	121.2235	0.672	2	120.6255	393.496	4	120.7481	37.102	38	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCHN)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CCHN)	120.0275	34.331	2	120.6255	393.496	4	120.7481	37.102	38	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CCu3)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CCu3)	121.3541	0.842	27	121.3541	0.709	27	120.7481	37.102	38	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(CLiMg2)	C[6a](C[6a]C[6a]H)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CLiMg2)	120.8263	0.206	4	120.8263	0.042	4	120.7481	37.102	38	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CCHH)	112.2150	4.163	2	112.2150	17.334	2	120.7481	37.102	38	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NC3)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC3)	121.2278	2.090	4	121.2278	4.368	4	121.2044	1.905	8	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NCoCH)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NCoCH)	121.2930	0.222	2	121.2930	0.049	2	121.2044	1.905	8	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(NNiCC)	C[6a](C[6a]C[6a]H)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NNiCC)	121.0690	0.352	2	121.0690	0.124	2	121.2044	1.905	8	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(CP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(PC[6a]2N)	C[6a](C[6a]C[6a]H)2(CP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(PC[6a]2N)	121.1620	0.130	2	121.1620	0.017	2	120.8979	0.496	11	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(CP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(CP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]3)	119.7845	1.005	2	119.7845	1.010	2	120.8979	0.496	11	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(CP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]H)2(CP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(PO3)	121.1406	0.388	7	121.1406	0.151	7	120.8979	0.496	11	120.8410	24.866	57	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	N[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN){1|C<4>,3|C<3>}	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH){1|O<2>,1|S<2>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(N)	117.6010	0.000	1	117.6010	0.000	1	117.6010	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(CN)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(CN){1|N<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	121.9317	0.479	6	121.9317	0.229	6	121.9317	0.229	6	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH){1|Cl<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	119.5060	0.000	1	119.5060	0.000	1	118.5980	1.649	2	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	117.6900	0.000	1	117.6900	0.000	1	118.5980	1.649	2	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(SC)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(CN){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(SC){1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CN)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CN){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]S)(CN)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]C)(SC[6a])	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]S)(CN){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]C)(SC[6a]){1|N<3>,1|O<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	116.9540	0.000	1	116.9540	0.000	1	116.9540	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	116.8200	0.000	1	116.8200	0.000	1	117.2905	0.443	2	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(OC[6a])	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CN){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(OC[6a]){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6,6a]C[6a])(N)	117.7610	0.000	1	117.7610	0.000	1	117.2905	0.443	2	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.4127	0.239	6	119.4127	0.057	6	119.5833	0.160	10	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.8392	0.488	4	119.8392	0.238	4	119.5833	0.160	10	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]H)(CN)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]H)(CN){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	117.4000	0.000	1	117.4000	0.000	1	116.4140	1.944	2	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(CN)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(CN){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	115.4280	0.000	1	115.4280	0.000	1	116.4140	1.944	2	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C(C[6a]C[6a]2)(N)	122.2600	0.000	2	122.2600	0.000	2	122.2600	0.000	2	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(CN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(CN){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	117.9078	0.664	6	117.9078	0.441	6	117.9078	0.441	6	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	118.4110	0.000	1	118.4110	0.000	1	118.0379	0.151	7	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	117.7520	0.000	1	117.9112	0.155	5	118.0379	0.151	7	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	117.9510	0.443	4	117.9112	0.155	5	118.0379	0.151	7	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CN){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.2980	0.000	1	118.2980	0.000	1	118.0379	0.151	7	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|C<2>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	121.3880	0.000	1	120.9952	0.342	9	121.3565	1.284	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[6a]2)(N)	120.9461	0.605	8	120.9952	0.342	9	121.3565	1.284	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN){4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.8640	0.000	1	121.4375	0.658	2	121.3565	1.284	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN){4|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	122.0110	0.000	1	121.4375	0.658	2	121.3565	1.284	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(CN)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(CN){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	124.4460	0.000	1	124.4460	0.000	1	121.3565	1.284	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]H)(CN)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]H)(CN){3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.3900	0.000	1	119.3900	0.000	1	119.2157	0.437	6	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(CN){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	120.4610	0.000	1	120.4610	0.000	1	119.2157	0.437	6	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.8607	0.180	4	118.8607	0.033	4	119.2157	0.437	6	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.3320	0.456	4	118.3320	0.208	4	118.3320	0.208	4	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN){1|Se<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN){1|Se<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	118.2385	0.354	2	118.2385	0.126	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CN){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CN){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.2205	1.500	2	119.2205	2.249	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.3400	0.755	4	119.3400	0.571	4	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CN){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CN){1|N<2>,1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	115.0072	0.956	4	115.0072	0.913	4	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.1127	0.450	6	120.0332	0.342	8	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.0110	0.000	1	120.0332	0.342	8	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.5790	0.000	1	120.0332	0.342	8	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	118.8370	0.000	1	119.4319	0.401	9	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5062	0.634	8	119.4319	0.401	9	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){3|C<3>}	C(C[6a]C[6a]2)(N)	117.4355	0.422	2	117.4355	0.178	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(CN){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|B<3>}	C(C[6a]C[6a]2)(N)	117.8820	0.000	1	117.8820	0.000	1	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN){1|C<3>,1|F<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.3025	0.043	2	120.6937	0.529	4	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(N)	120.0850	0.320	2	120.6937	0.529	4	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.6280	0.223	2	119.6280	0.050	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|B<3>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(CN){1|C<3>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N)	119.5210	0.000	1	119.5210	0.000	1	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.9110	0.536	3	119.8374	0.413	5	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.4470	0.000	1	119.8374	0.413	5	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.0070	0.000	1	119.8374	0.413	5	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.8471	0.706	63	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.5852	0.549	12	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.7686	0.886	12	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.9523	0.567	3	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.0200	0.711	2	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.9930	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(N)	121.4150	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.3260	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.7840	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.4070	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	118.3450	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.4213	0.658	8	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.8820	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.0078	0.628	5	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.6400	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.7860	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.3097	0.667	27	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.7917	0.680	74	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.3617	0.479	6	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.1363	0.446	11	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3925	0.450	2	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.8447	1.274	3	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(N)	120.7580	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.6330	1.159	5	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.2552	0.737	74	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.5365	0.846	2	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.2573	0.594	6	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.1540	0.219	2	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.8660	0.000	1	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.3270	0.406	6	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.7115	0.734	8	120.0810	0.583	342	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(N)	120.2265	1.532	2	119.6637	2.124	3	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.5380	0.000	1	119.6637	2.124	3	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.4160	0.000	1	120.4160	0.000	1	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.0973	0.439	17	119.0973	0.193	17	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.3730	0.000	1	119.3730	0.000	1	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.5980	0.511	4	119.5980	0.261	4	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.6145	0.339	2	119.6145	0.115	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.3710	0.124	2	119.3710	0.015	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(N)	117.7350	0.274	2	117.9733	0.208	3	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(N)	118.4500	0.000	1	117.9733	0.208	3	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|Si<4>,1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N)	121.0410	0.000	1	121.0410	0.000	1	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N)	120.3600	0.000	1	120.3600	0.000	1	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.7159	0.419	17	120.7159	0.176	17	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.3277	0.358	8	120.3979	0.503	20	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.3750	0.000	1	120.3979	0.503	20	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.3548	0.922	10	120.3979	0.503	20	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.4130	0.000	1	120.3979	0.503	20	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(CC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(CC){1|N<2>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.5430	0.393	2	119.5430	0.155	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(CN){1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.2229	0.817	7	118.2229	0.667	7	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	118.6700	0.000	1	118.6700	0.000	1	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	117.8410	0.000	1	117.2865	0.615	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(CN){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	116.7320	0.000	1	117.2865	0.615	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.5982	0.876	4	120.5982	0.767	4	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	118.6999	0.662	7	118.6999	0.438	7	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	118.4420	0.000	1	118.3495	0.017	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	118.2570	0.000	1	118.3495	0.017	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)2(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.9592	0.535	4	118.9592	0.286	4	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	118.1680	0.191	2	118.1680	0.036	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CN){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(N)	119.8260	0.000	1	119.8260	0.000	1	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	117.3035	0.319	2	117.3035	0.102	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.5280	0.235	2	119.5280	0.055	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(CN){1|Cl<1>,1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N)	121.5760	0.170	2	121.5760	0.029	2	119.8842	1.020	496	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CO)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CO){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(O)	120.1830	0.199	2	120.1830	0.040	2	120.1830	0.040	2	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NH){3|C<3>}	C(C[6a]C[6a]2)(N)	116.6050	0.000	1	116.6050	0.000	1	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.6580	0.000	1	119.6580	0.000	1	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(NH){1|Si<4>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	118.3280	0.000	1	118.8115	0.468	2	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(NH){3|C<3>}	C(C[6a]C[6a]2)(N)	119.2950	0.000	1	118.8115	0.468	2	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.4900	0.000	1	119.1289	0.458	28	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1342	0.684	26	119.1289	0.458	28	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.6280	0.000	1	119.1289	0.458	28	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.1490	0.000	1	118.1490	0.000	1	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.0480	0.264	2	119.8796	0.145	5	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.7673	0.455	3	119.8796	0.145	5	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(NH){1|Si<4>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	117.2960	0.000	1	117.2960	0.000	1	119.0856	0.719	39	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN){1|C<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	121.8610	0.634	6	121.8610	0.402	6	122.0646	2.212	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.8060	0.000	1	122.8060	0.000	1	122.0646	2.212	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	124.5560	0.000	1	124.5560	0.000	1	122.0646	2.212	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])2(CN){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.5618	2.184	4	121.5618	4.769	4	122.0646	2.212	12	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.2730	0.000	1	118.2730	0.000	1	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	117.6000	0.000	1	119.2646	1.902	8	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.4110	0.281	2	119.2646	1.902	8	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	117.0890	0.000	1	119.2646	1.902	8	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.6515	0.913	4	119.2646	1.902	8	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.0282	0.520	4	120.1853	0.166	17	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.2336	0.379	13	120.1853	0.166	17	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6790	0.000	1	118.0387	2.021	3	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	117.2185	0.080	2	118.0387	2.021	3	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.9565	0.400	2	120.9565	0.160	2	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	117.8870	0.182	2	117.8870	0.033	2	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6]){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	120.3200	0.000	1	120.3200	0.000	1	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	118.9499	0.717	7	118.9499	0.514	7	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.3710	0.000	1	119.3710	0.000	1	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6]){1|C<3>,1|F<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.7810	0.000	1	119.7810	0.000	1	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.9170	0.000	1	119.5174	0.111	16	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.5657	0.339	4	119.5174	0.111	16	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3974	0.322	8	119.5174	0.111	16	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.6830	0.000	1	119.5174	0.111	16	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6180	0.506	2	119.5174	0.111	16	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.5750	0.000	1	119.6472	0.156	5	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.6653	0.454	4	119.6472	0.156	5	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.8230	0.307	2	118.8642	0.050	4	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.9055	0.223	2	118.8642	0.050	4	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.4128	0.520	5	120.4128	0.270	5	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OAl)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OAl){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N)	117.7523	0.593	3	117.7523	0.352	3	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]O)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]O)2(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6]){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(N)	119.2180	1.182	2	119.2180	1.398	2	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]O)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]O)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.2285	1.602	2	121.2285	2.565	2	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]O)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]O)2(CN){1|N<2>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6]){1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.4180	0.000	1	119.4180	0.000	1	119.5193	1.016	81	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(O)	121.3090	0.000	1	121.3090	0.000	1	121.1213	0.169	3	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	C[6a](C[6a]C[6a]C)2(OH)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(O)	120.6500	0.000	1	121.0275	0.285	2	121.1213	0.169	3	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO)	C[6a](C[6a]C[6a]C)2(OH)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CO){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(O)	121.4050	0.000	1	121.0275	0.285	2	121.1213	0.169	3	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.9850	0.000	1	119.6075	0.775	2	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.2300	0.000	1	119.6075	0.775	2	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.9060	0.617	3	120.4852	0.451	6	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.0770	0.000	1	120.4852	0.451	6	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.5230	0.000	1	120.4852	0.451	6	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC[6a]){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.5930	0.000	1	120.4852	0.451	6	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SNi)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SNi){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.6510	0.000	1	120.6510	0.000	1	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.9275	0.346	2	119.9275	0.120	2	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)2(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(SC){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.7020	0.000	1	120.7020	0.000	1	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(SC){1|O<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.1570	0.000	1	122.1570	0.000	1	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(SC){1|N<2>,1|O<1>,1|S<2>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.4600	0.000	1	122.4600	0.000	1	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SC){1|O<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	123.3510	0.000	1	123.3510	0.000	1	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(SC){1|O<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	121.9630	0.000	1	124.6440	14.376	2	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(SC){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	127.3250	0.000	1	124.6440	14.376	2	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]O[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]O[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.8390	0.424	2	121.8390	0.180	2	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]O[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(SC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]O[6a]O)(CN){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(SC){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	126.4265	0.627	2	126.4265	0.393	2	121.7677	5.478	21	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	123.6980	0.000	1	123.6980	0.000	1	123.6980	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN){4|C<3>}	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH){1|N<2>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.8290	0.000	1	120.8290	0.000	1	120.8290	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:1:	N[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN)	C(C[6a]N[5a,6a]C[6a])(N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	C(C[6a]N[5a,6a]C[6a])(N)	124.3870	0.000	1	124.3870	0.000	1	124.3870	0.000	1	119.8671	1.692	722	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	121.1080	0.426	3	121.1080	0.182	3	119.9363	2.689	6	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	118.7647	1.557	3	118.7647	2.423	3	119.9363	2.689	6	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CN)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	116.6107	0.270	4	116.6107	0.073	4	116.6107	0.073	4	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CH)	119.9450	0.000	1	119.9450	0.000	1	120.7470	1.286	2	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.5490	0.000	1	121.5490	0.000	1	120.7470	1.286	2	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a])	119.1256	0.712	10	119.1256	0.508	10	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC){5|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.8385	2.106	2	118.8385	4.437	2	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.4205	0.773	2	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.9908	0.317	8	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.6998	0.575	12	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.6270	0.583	2	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	119.5816	1.527	8	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.2328	0.646	6	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC)	120.7440	1.599	2	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC)	119.9470	0.089	2	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.0324	1.777	38	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	118.1740	0.092	4	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	118.3042	0.504	16	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	117.3499	0.519	8	119.6615	2.521	108	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[4])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[4])	119.4338	0.397	6	119.4338	0.157	6	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[5,6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5,6])	119.0280	0.188	4	119.0280	0.035	4	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[5])	121.5545	0.493	4	121.0585	2.289	11	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.7750	1.854	7	121.0585	2.289	11	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5a])	124.4933	0.520	3	124.4933	0.270	3	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6,6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6,6])	119.0700	0.000	1	119.0700	0.000	1	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.5060	0.729	4	120.3043	0.740	23	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6])	119.6925	0.494	2	120.3043	0.740	23	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6])	119.9317	0.660	4	120.3043	0.740	23	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	120.4509	0.974	13	120.3043	0.740	23	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.0030	0.027	2	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.4850	0.000	1	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6178	0.808	4	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.3380	0.219	2	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.3752	0.803	16	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.3260	0.000	1	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.0153	0.688	10	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	121.6170	0.000	1	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.8594	2.124	88	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.1582	0.223	16	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.4462	0.435	4	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.3415	0.604	35	121.1313	3.001	180	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CI)	121.0900	0.611	3	121.0900	0.373	3	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CP)	117.4115	0.732	2	117.4115	0.536	2	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPd)	120.6852	1.591	4	120.6852	2.531	4	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	120.1570	0.508	4	120.1570	0.258	4	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	121.5917	1.035	3	121.5917	1.071	3	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.0560	0.948	3	120.8835	0.719	4	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3660	0.000	1	120.8835	0.719	4	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(CS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CS)	121.2300	0.000	1	121.2300	0.000	1	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|Si<4>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	119.7080	0.000	1	119.7080	0.000	1	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	116.4140	0.000	1	116.4140	0.000	1	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.8780	0.000	1	121.8780	0.000	1	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPd)	121.6015	1.455	2	121.6015	2.116	2	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC)	117.7900	0.000	1	117.7900	0.000	1	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC)	119.0650	0.000	1	119.0650	0.000	1	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.4265	0.808	2	122.4265	0.653	2	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.5590	0.601	2	121.5590	0.361	2	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CC)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CAu)	119.2655	0.316	2	119.2655	0.100	2	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.2140	0.123	2	119.2140	0.015	2	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CC)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CPt)	120.0812	1.169	4	120.0812	1.366	4	120.5006	3.082	388	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C(C[6a]C[6a]2)(NRu)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NRu)	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CS)	C(C[6a]C[6a]2)(SC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SC[6])	122.7365	0.224	2	122.7365	0.050	2	122.7365	0.050	2	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.1760	0.000	1	121.1760	0.000	1	120.9666	2.371	8	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a])	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	119.7665	3.013	2	119.7665	9.078	2	120.9666	2.371	8	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.9770	0.000	1	120.9770	0.000	1	120.9666	2.371	8	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.2020	0.000	1	121.2020	0.000	1	120.9666	2.371	8	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.3535	0.074	2	122.3535	0.006	2	120.9666	2.371	8	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.1380	0.000	1	120.1380	0.000	1	120.9666	2.371	8	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.6370	0.000	1	119.6370	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	123.2400	0.000	1	123.2400	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC){1|Br<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6250	1.022	2	120.6250	1.045	2	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	123.5030	0.000	1	123.5030	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.5055	0.159	2	120.5055	0.025	2	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	121.9360	0.345	2	120.2260	2.496	5	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	119.1610	0.290	2	120.2260	2.496	5	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	118.9360	0.000	1	120.2260	2.496	5	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	119.6900	0.000	1	119.6900	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	116.9165	1.430	2	120.3298	5.271	25	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.2250	0.581	2	120.3298	5.271	25	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.6400	0.000	1	120.3298	5.271	25	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.8005	1.343	2	120.3298	5.271	25	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.9886	1.113	15	120.3298	5.271	25	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	126.3210	0.000	1	120.3298	5.271	25	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.0360	0.000	1	120.3298	5.271	25	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	126.5360	0.000	1	120.3298	5.271	25	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	120.3448	0.388	4	120.6330	0.325	6	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CH)	121.2095	0.418	2	120.6330	0.325	6	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPd)	121.1110	0.000	1	121.1110	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CPt)	121.5690	0.000	1	121.5690	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CRu)	121.0943	0.422	3	121.0943	0.178	3	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	120.2780	0.403	2	120.2780	0.162	2	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.6863	2.842	3	119.0620	4.807	5	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.1255	0.381	2	119.0620	4.807	5	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.4060	0.000	1	120.4060	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.5660	0.000	1	121.5660	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.5305	1.505	2	121.5305	2.266	2	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	122.3957	1.783	3	122.3957	3.180	3	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.8485	0.077	2	120.7198	2.200	9	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.2050	2.001	3	120.7198	2.200	9	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.2915	1.645	4	120.7198	2.200	9	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC)	C[6a](C[6a]C[6a]C)2(OH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	117.7785	0.978	6	117.7785	0.956	6	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|P<4>}	C(C[6a]C[6a]2)(CP)	117.3500	0.000	1	117.3500	0.000	1	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]O)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]O)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.3722	1.583	4	120.3722	2.507	4	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]O)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]O)2(CC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	120.1446	0.618	8	120.1446	0.382	8	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]O)2(CC)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]O)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CI)	120.5390	0.599	7	120.5390	0.359	7	120.3313	3.109	98	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NO)	116.8560	0.000	1	117.6990	1.421	2	120.0500	5.213	5	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(NO)	118.5420	0.000	1	117.6990	1.421	2	120.0500	5.213	5	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	C(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])	120.8010	0.000	1	120.8010	0.000	1	120.0500	5.213	5	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(OH)	C(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])	121.9690	0.000	1	121.9690	0.000	1	120.0500	5.213	5	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	C(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NN)	122.0820	0.000	1	122.0820	0.000	1	120.0500	5.213	5	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(O[6a]C[6a])	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CC){6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	121.9450	0.000	1	121.9450	0.000	1	121.1520	1.258	2	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3590	0.000	1	120.3590	0.000	1	121.1520	1.258	2	120.4513	3.156	517	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OCu)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Cu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OCu){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]Cu)	121.9440	0.000	1	121.9440	0.000	1	121.6320	0.097	3	122.4599	1.494	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OMn)	C(C[6a]C[6a,6a]C[6a])(NMnC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OMn){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NMnC)	121.4760	0.219	2	121.4760	0.048	2	121.6320	0.097	3	122.4599	1.494	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu)	C(C[6a]C[6a]2)(NC[6a]Cu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OCu){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Cu)	121.1340	0.000	1	121.1340	0.000	1	122.8738	1.734	6	122.4599	1.494	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OCo)	C(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Co)	123.9607	0.602	3	123.9607	0.362	3	122.8738	1.734	6	122.4599	1.494	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OMn)	C(C[6a]C[6a]2)(NMnO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OMn){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NMnO)	121.7820	0.000	1	121.7820	0.000	1	122.8738	1.734	6	122.4599	1.494	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd)	C(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OPd){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Pd)	122.4450	0.000	1	122.4450	0.000	1	122.8738	1.734	6	122.4599	1.494	9	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH3)	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(N)	121.6380	0.000	1	121.6380	0.000	1	121.0725	0.640	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NHH){1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(N)	120.5070	0.000	1	120.5070	0.000	1	121.0725	0.640	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN){1|C<4>,4|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(N)	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CN[6]O)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CN[6]O){1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(N)	122.7330	0.252	2	122.7330	0.063	2	122.7330	0.063	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CN){1|N<3>,6|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	121.9650	0.000	1	121.9650	0.000	1	122.8903	2.880	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|C<4>,6|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	118.9830	0.000	1	118.9830	0.000	1	122.8903	2.880	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	121.7030	0.000	1	121.7030	0.000	1	122.8903	2.880	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(N)	123.5164	0.987	7	123.6428	0.963	8	122.8903	2.880	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	124.5270	0.000	1	123.6428	0.963	8	122.8903	2.880	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)(CN){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH){1|H<1>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	116.4340	0.000	1	116.4340	0.000	1	116.4340	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	121.2160	0.000	1	121.5805	0.266	2	121.5805	0.266	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	121.9450	0.000	1	121.5805	0.266	2	121.5805	0.266	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(CN){1|C<4>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	116.6520	0.000	1	116.6520	0.000	1	115.5331	2.311	15	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC){3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	115.5770	0.000	1	115.5770	0.000	1	115.5331	2.311	15	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	116.0605	0.623	2	114.7813	1.122	10	115.5331	2.311	15	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	113.9420	0.765	2	114.7813	1.122	10	115.5331	2.311	15	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){3|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	114.6347	0.929	6	114.7813	1.122	10	115.5331	2.311	15	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	117.6513	0.972	3	117.6513	0.944	3	115.5331	2.311	15	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(CN){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6,6a]C[6a])(N)	118.5490	0.000	1	118.5490	0.000	1	118.5490	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CN){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.8420	1.795	2	119.8420	3.221	2	119.8420	3.221	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(COO)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(COO){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]C)2(C[6a]C[6a]2)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(CN){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)2(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	121.5960	0.000	1	121.5960	0.000	1	120.6998	4.132	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)(CN){6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	121.8605	0.859	4	121.8605	0.737	4	120.6998	4.132	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	120.2530	0.000	1	120.2967	0.002	3	120.6998	4.132	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	120.3185	0.037	2	120.2967	0.002	3	120.6998	4.132	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]2)(CN){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	115.4140	0.000	1	115.4140	0.000	1	120.6998	4.132	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	121.1780	2.007	2	121.1780	4.027	2	120.6998	4.132	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(CN){5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	113.0400	0.000	1	113.0400	0.000	1	117.0132	7.160	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	118.3600	0.000	1	118.3377	0.215	3	117.0132	7.160	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	118.3265	0.655	2	118.3377	0.215	3	117.0132	7.160	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(CN)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(CN){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	117.2760	0.000	1	117.2760	0.000	1	117.2760	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN){1|N<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N)	116.3060	0.000	1	116.3060	0.000	1	119.8397	8.217	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	118.8120	0.000	1	118.8120	0.000	1	119.8397	8.217	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N)	121.5270	0.000	1	121.5270	0.000	1	119.8397	8.217	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]O[6a]O)(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]O[6a]O)(CN){1|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	122.7140	0.000	1	122.7140	0.000	1	119.8397	8.217	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.2870	0.000	1	120.2870	0.000	1	120.2870	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CN){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.3528	0.624	4	121.3528	0.390	4	121.3528	0.390	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(CN){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.7710	0.000	1	119.1713	0.400	4	119.9993	1.914	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(CN){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.3047	0.702	3	119.1713	0.400	4	119.9993	1.914	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C(C[6a]C[6a]2)(N)	120.6460	1.622	2	120.6460	2.631	2	119.9993	1.914	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]O)(CN){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.0180	0.000	1	122.0180	0.000	1	119.9993	1.914	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(CN)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	117.8320	0.000	1	117.8320	0.000	1	117.8320	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.2130	0.802	2	121.2130	0.643	2	122.2157	1.546	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.7950	0.000	1	121.7950	0.000	1	122.2157	1.546	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	123.8900	0.000	1	123.8900	0.000	1	122.2157	1.546	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C(C[6a]C[6a]2)(N)	121.0410	0.000	1	121.0410	0.000	1	122.2157	1.546	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	122.7280	0.000	1	122.7280	0.000	1	122.2157	1.546	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(CN)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C(C[6a]C[6a]2)(N)	123.6300	0.000	1	123.6300	0.000	1	122.2157	1.546	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[5a])(C[6a]N[6a]O)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[5a])(C[6a]N[6a]O)(CN){1|C<4>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.9820	0.000	1	121.9820	0.000	1	121.9820	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	120.2874	0.456	7	120.3017	0.247	10	121.4783	1.306	27	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	120.6470	0.000	1	120.3017	0.247	10	121.4783	1.306	27	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	120.1790	0.905	2	120.3017	0.247	10	121.4783	1.306	27	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	121.4260	1.206	3	121.4260	1.455	3	121.4783	1.306	27	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	122.3745	0.554	4	122.3299	0.371	14	121.4783	1.306	27	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N)	121.9890	0.000	1	122.3299	0.371	14	121.4783	1.306	27	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	122.4414	0.670	8	122.3299	0.371	14	121.4783	1.306	27	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.6000	0.000	1	122.3299	0.371	14	121.4783	1.306	27	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]2)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.9580	0.000	1	116.9580	0.000	1	119.3330	5.299	3	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.5205	1.462	2	120.5205	2.136	2	119.3330	5.299	3	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]N[5])(C[6a]O[6a]O)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]N[5])(C[6a]O[6a]O)(CN){1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N)	125.9165	0.011	2	125.9165	0.000	2	125.9165	0.000	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]N[6])(C[6a]O[6a]O)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]N[6])(C[6a]O[6a]O)(CN){1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N)	124.5530	0.000	1	124.5530	0.000	1	124.5530	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN){2|C<3>}	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>}	C(C[6a]C[6a]2)(N)	123.0332	0.629	4	123.0332	0.395	4	123.0332	0.395	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N)	119.0660	0.668	4	119.0660	0.446	4	120.4093	2.009	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|Br<1>,2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	119.8675	0.149	2	119.8675	0.022	2	120.4093	2.009	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CN){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	120.7620	0.000	1	120.7620	0.000	1	120.4093	2.009	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	120.3500	0.000	1	120.5150	0.054	2	120.4093	2.009	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>,3|N<3>}	C(C[6a]C[6a]2)(N)	120.6800	0.000	1	120.5150	0.054	2	120.4093	2.009	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CN){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	122.3733	0.760	3	122.3733	0.578	3	120.4093	2.009	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	122.6280	0.000	1	122.6280	0.000	1	124.0915	1.511	8	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CN){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	124.3006	1.164	7	124.3006	1.355	7	124.0915	1.511	8	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]C)(CN){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	121.1840	0.000	1	121.1840	0.000	1	122.1065	1.702	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	123.0290	0.000	1	123.0290	0.000	1	122.1065	1.702	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){3|C<3>}	C(C[6a]C[6a]2)(N)	121.5210	0.000	1	121.5210	0.000	1	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.8920	0.000	1	120.5663	0.346	3	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.9035	0.095	2	120.5663	0.346	3	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.4457	0.766	3	120.4457	0.587	3	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.6940	0.501	2	121.6940	0.251	2	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.0515	0.480	2	121.0515	0.231	2	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.4250	1.127	5	120.4250	1.269	5	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	122.3850	0.000	1	122.3850	0.000	1	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3780	0.000	1	119.3780	0.000	1	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	122.3817	0.797	3	122.3817	0.635	3	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CPdN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CPdN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.6070	1.213	2	121.6070	1.472	2	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.6980	0.000	1	120.6980	0.000	1	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O){1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.8240	0.969	2	119.8240	0.938	2	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){1|N<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.5180	0.000	1	120.7784	1.066	5	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(COO){1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	121.0935	0.871	4	120.7784	1.066	5	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.6510	0.597	2	119.6510	0.356	2	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.2020	0.000	1	121.2020	0.000	1	120.8540	1.126	34	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN){1|N<2>,6|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,7|C<3>}	C(C[6a]C[6a]2)(N)	120.9780	0.000	1	120.9780	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	121.9200	0.000	1	121.9200	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(CN){1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	119.7785	0.652	6	119.7785	0.425	6	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,2|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.6960	0.000	1	120.6960	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN){1|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.4800	0.000	1	120.4800	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CN){5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	119.8746	0.535	5	119.8746	0.286	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	117.2970	0.000	1	118.9126	0.615	8	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.1120	0.000	2	118.9126	0.615	8	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.1560	0.574	5	118.9126	0.615	8	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|C<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.2750	0.000	1	118.2750	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.7480	0.000	1	120.7480	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(C[6a]N[6a]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CN){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(C[6a]N[6a]2){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	124.3225	1.549	2	124.3225	2.400	2	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	118.4280	0.000	1	120.1019	4.039	7	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.3145	0.069	2	120.1019	4.039	7	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	122.4710	1.417	2	120.1019	4.039	7	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.3600	0.000	1	120.1019	4.039	7	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	117.3540	0.000	1	120.1019	4.039	7	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.9555	1.285	4	121.9555	1.650	4	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	123.3670	0.000	1	123.3670	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	120.1295	0.105	2	120.1295	0.011	2	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	120.8235	0.141	2	121.1608	0.711	24	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	122.2160	0.287	2	121.1608	0.711	24	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	121.0889	0.849	20	121.1608	0.711	24	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C){1|C<2>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N)	118.8657	0.287	4	118.8657	0.082	4	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	124.2195	0.518	2	124.2195	0.269	2	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	122.6040	0.000	1	122.6040	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,5|C<3>}	C(C[6a]C[6a]2)(N)	121.0300	0.444	2	121.0300	0.197	2	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.0840	0.000	1	120.8740	0.472	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.3910	0.901	2	120.8740	0.472	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	121.6260	0.000	1	120.8740	0.472	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.8780	0.000	1	120.8740	0.472	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.5160	0.000	1	120.2420	0.691	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	120.1735	0.943	4	120.2420	0.691	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C){1|N<2>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N)	120.1520	0.000	1	120.1101	0.734	7	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C){1|N<3>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N)	120.1032	0.939	6	120.1101	0.734	7	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.1690	0.000	1	121.1690	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.9790	0.000	1	121.9790	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.7750	0.000	1	120.7750	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C(C[6a]C[6a]2)(N)	122.1270	0.000	1	122.4984	0.930	10	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	122.6865	0.103	2	122.4984	0.930	10	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.9680	0.000	1	122.4984	0.930	10	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	123.0440	0.000	1	122.4984	0.930	10	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	122.3340	0.000	1	122.4984	0.930	10	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	123.0345	0.304	4	122.4984	0.930	10	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]S){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.2395	0.534	2	120.6447	1.204	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]S){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	119.4550	0.000	1	120.6447	1.204	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.5540	0.000	1	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.8830	0.000	1	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.0505	0.836	4	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C(C[6a]C[6a]2)(N)	121.1440	1.110	2	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Se<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.7620	0.000	1	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	120.8195	0.796	4	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.3658	1.173	4	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	122.5410	0.000	1	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.7780	0.000	1	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C(C[6a]C[6a]2)(N)	121.1350	0.000	1	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.3340	0.058	2	121.4342	0.867	22	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	121.8130	0.000	1	121.8130	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.8480	0.000	1	121.8480	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	123.5080	0.973	2	122.9174	1.121	18	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.7763	1.260	3	122.9174	1.121	18	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	123.3383	0.577	8	122.9174	1.121	18	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|O<2>}	C(C[6a]C[6a]2)(N)	121.4355	0.132	2	122.9174	1.121	18	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	123.5307	0.724	3	122.9174	1.121	18	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.4300	0.000	1	122.1012	0.162	11	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.9560	0.000	1	122.1012	0.162	11	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	122.1873	0.466	4	122.1012	0.162	11	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	122.7170	0.000	1	122.1012	0.162	11	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C(C[6a]C[6a]2)(N)	121.9400	0.000	1	122.1012	0.162	11	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.8730	0.163	2	122.1012	0.162	11	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.5750	0.000	1	122.1012	0.162	11	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.5450	0.000	1	122.1303	0.267	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	122.3230	0.000	1	122.1303	0.267	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	C(C[6a]C[6a]2)(N)	122.5230	0.000	1	122.1303	0.267	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.2150	0.000	1	120.6334	1.302	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.8280	0.000	1	120.6334	1.302	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|S<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.8890	0.000	1	120.6334	1.302	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.6175	0.121	2	120.6334	1.302	5	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)2(CN){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	120.1830	0.315	2	119.8967	0.296	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)2(CN){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.3240	0.000	1	119.8967	0.296	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)2(CN){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	118.0035	0.602	2	117.9880	0.182	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)2(CN){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	117.9570	0.000	1	117.9880	0.182	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	118.8280	0.000	1	119.5450	1.028	2	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	120.2620	0.000	1	119.5450	1.028	2	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C){1|N<3>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N)	120.3870	0.000	1	120.3870	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN){1|C<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	118.2933	0.577	4	118.2837	0.243	6	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN){1|C<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<2>,2|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	118.2645	0.460	2	118.2837	0.243	6	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,2|N<3>,3|C<3>}	C(C[6a]C[6a]2)(N)	122.5517	0.728	4	122.5517	0.530	4	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	117.7570	0.000	2	117.7570	0.000	2	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.4310	0.847	3	119.4310	0.718	3	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN){1|C<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N)	119.9530	0.679	2	119.9530	0.461	2	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]2)(CN){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Se<2>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	122.0880	0.000	1	122.0880	0.000	1	121.0057	2.629	195	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.5710	0.000	1	119.5710	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	115.4940	0.000	1	115.4940	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	118.0750	0.000	1	118.0750	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.9625	0.405	2	117.9625	0.164	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC){3|C<3>}	C(C[6a]C[6a]2)(N)	118.5180	0.000	1	118.5180	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.0307	0.855	3	118.1539	0.374	9	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	118.2155	0.541	6	118.1539	0.374	9	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.4440	0.061	2	119.4440	0.004	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.6490	0.000	1	118.6490	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|S<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	117.0950	0.000	1	117.0950	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.8160	0.000	1	117.3351	0.881	17	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	117.7092	1.181	4	117.3351	0.881	17	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.2890	0.249	3	117.3351	0.881	17	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.8815	1.186	2	117.3351	0.881	17	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	116.2410	0.000	1	117.3351	0.881	17	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	117.1955	1.062	6	117.3351	0.881	17	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	117.3790	0.386	2	117.3790	0.149	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.5237	1.042	3	118.1651	0.764	11	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.3040	1.056	2	118.1651	0.764	11	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C(C[6a]C[6a]2)(N)	118.2728	0.695	6	118.1651	0.764	11	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	120.8105	0.093	2	120.8105	0.009	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NHH){1|C<2>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(N)	119.2510	0.000	1	119.2510	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.9470	0.000	1	118.9470	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	124.5730	0.270	2	121.9862	9.578	4	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.3730	0.000	1	121.9862	9.578	4	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.4260	0.000	1	121.9862	9.578	4	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.7350	0.000	1	119.9138	0.781	5	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.4350	0.000	1	119.9138	0.781	5	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.1330	0.245	3	119.9138	0.781	5	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3680	0.000	1	119.3680	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.1567	0.585	3	119.1180	0.234	4	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.0020	0.000	1	119.1180	0.234	4	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]Ni)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]Ni){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.3850	0.000	1	119.3850	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	123.2250	0.000	1	123.2250	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCuC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCuC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1680	0.000	1	119.1680	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	118.6875	0.252	2	118.6875	0.064	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.8185	0.288	2	119.8185	0.083	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.7570	0.000	1	119.7570	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNiC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1960	0.000	1	119.1960	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NZnC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NZnC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.9494	1.202	8	119.9494	1.446	8	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.3200	0.000	1	121.3200	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.5870	0.000	1	118.5870	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.8535	1.020	2	119.1218	0.657	4	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(NHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.3900	0.800	2	119.1218	0.657	4	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.0800	0.000	1	118.1987	1.067	3	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.7580	0.506	2	118.1987	1.067	3	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.0260	0.000	1	120.0260	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.4270	0.000	1	121.4270	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.2010	0.000	1	120.8055	0.731	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	121.4100	0.000	1	120.8055	0.731	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.8350	0.000	1	119.8350	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|N<2>,1|N<3>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.4990	0.996	3	120.4990	0.992	3	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN){2|C<3>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.8580	0.000	1	120.8580	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	126.1715	0.422	2	126.1715	0.178	2	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(CN){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.8940	0.000	1	119.8940	0.000	1	119.0844	3.560	105	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N)	124.4340	0.000	1	121.7883	2.009	7	121.7883	2.009	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	120.8390	0.820	2	121.7883	2.009	7	121.7883	2.009	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<5>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.4550	0.000	1	121.7883	2.009	7	121.7883	2.009	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<5>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.8560	1.469	2	121.7883	2.009	7	121.7883	2.009	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<6>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.2390	0.000	1	121.7883	2.009	7	121.7883	2.009	7	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N[6])(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N[6])(CN){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N)	119.8570	0.297	2	119.8570	0.088	2	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	118.0200	0.000	1	118.9390	1.943	3	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(CN){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	119.3985	1.619	2	118.9390	1.943	3	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N)	119.1240	0.000	1	119.6145	0.481	2	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C(C[6a]C[6a]2)(N)	120.1050	0.000	1	119.6145	0.481	2	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CN){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(N)	120.9940	0.000	1	120.9940	0.000	1	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(CN){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N)	118.1700	0.000	1	118.1700	0.000	1	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]O[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]O[6a]O)(CN){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N)	127.2110	0.000	1	127.2110	0.000	1	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])2(CN){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N)	119.4445	2.459	2	119.4445	6.045	2	120.0853	6.462	12	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.5000	0.000	1	121.6520	0.046	2	121.6520	0.046	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	121.8040	0.000	1	121.6520	0.046	2	121.6520	0.046	2	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.3483	0.681	3	120.3483	0.463	3	120.3483	0.463	3	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])2(CN)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C(C[6a]C[6a]2)(N)	119.8050	0.547	6	119.4294	0.879	11	119.4294	0.879	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])2(CN)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C(C[6a]C[6a]2)(N)	120.9540	0.000	1	119.4294	0.879	11	119.4294	0.879	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])2(CN)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])2(CN){2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	C(C[6a]C[6a]2)(N)	118.4848	0.429	4	119.4294	0.879	11	119.4294	0.879	11	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N)	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.6745	1.708	2	117.6745	2.916	2	117.7620	1.059	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN){4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|N<2>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	118.1880	0.000	1	118.1880	0.000	1	117.7620	1.059	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(CN){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	117.5110	0.000	1	117.5110	0.000	1	117.7620	1.059	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]2)(CN)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|C<3>}	C(C[6a]C[6a]2)(N)	115.7703	0.446	4	115.7703	0.199	4	116.0126	0.443	5	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(CN)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(CN){1|C<4>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|O<1>,1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	116.9820	0.000	1	116.9820	0.000	1	116.0126	0.443	5	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CN)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	122.5080	0.263	2	122.5080	0.069	2	120.0747	1.714	23	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[6a]2)(N)	120.3000	0.000	1	120.3070	0.005	3	120.0747	1.714	23	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N)	120.3105	0.097	2	120.3070	0.005	3	120.0747	1.714	23	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	122.1575	0.149	2	122.1575	0.022	2	120.0747	1.714	23	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])2(CN)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])2(CN){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|N<3>,5|C<3>}	C(C[6a]C[6a]2)(N)	119.9820	0.514	9	119.9820	0.264	9	120.0747	1.714	23	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])2(CN)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<2>,1|N<3>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C(C[6a]C[6a]2)(N)	118.9538	0.705	6	118.8041	0.571	7	120.0747	1.714	23	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[5a])2(CN)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<4>,1|N<3>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C(C[6a]C[6a]2)(N)	117.9060	0.000	1	118.8041	0.571	7	120.0747	1.714	23	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,4|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	116.4093	0.910	4	116.4093	0.828	4	116.4093	0.828	4	120.3467	4.796	545	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]2)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CC){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	120.5690	0.088	2	120.5690	0.008	2	120.5690	0.008	2	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C[6a])(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]2)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C[6a])(CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(C[6a]C[6a]2)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CC){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CC){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	122.2130	0.619	2	122.2130	0.384	2	122.2130	0.384	2	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CH)	122.0005	0.343	2	122.0005	0.118	2	122.0005	0.118	2	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CC){5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.1495	1.193	2	118.1495	1.423	2	118.9227	1.309	4	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CC){5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.6960	0.334	2	119.6960	0.111	2	118.9227	1.309	4	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|Ge<4>,2|C<3>,2|H<1>}	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|Ge<4>,1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CH)	120.9670	0.000	1	120.9670	0.000	1	120.9670	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(CC)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(CC){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.1050	0.000	1	120.1050	0.000	1	121.9413	1.177	7	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(CH)	121.3940	0.649	2	121.3940	0.421	2	121.9413	1.177	7	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CPt)	122.6740	0.418	4	122.6740	0.175	4	121.9413	1.177	7	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.6142	0.897	4	120.6142	0.804	4	120.6142	0.804	4	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|S<2>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CSi)	121.2660	0.000	1	121.2660	0.000	1	121.1990	0.009	2	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]C){1|N<3>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(CC)	121.1320	0.000	1	121.1320	0.000	1	121.1990	0.009	2	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CSi)	119.9635	0.268	2	119.9635	0.072	2	121.2678	2.835	21	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.5260	2.206	2	120.5260	4.867	2	121.2678	2.835	21	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.2260	0.000	1	120.3210	0.899	3	121.2678	2.835	21	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.8685	0.754	2	120.3210	0.899	3	121.2678	2.835	21	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC)	121.6870	0.000	1	121.6870	0.000	1	121.2678	2.835	21	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.0885	1.152	6	120.0885	1.327	6	121.2678	2.835	21	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	123.2091	0.455	7	123.2091	0.207	7	121.2678	2.835	21	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(CC){1|C<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.1420	0.000	1	120.1420	0.000	1	121.7767	2.468	3	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	122.5940	0.963	2	122.5940	0.928	2	121.7767	2.468	3	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(CC){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2){3|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CSi)	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl)	C(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CO)	124.8090	0.000	1	124.8090	0.000	1	124.8090	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(BC[6a]O)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]B)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(BC[6a]O){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.6020	0.455	2	120.6020	0.207	2	121.3535	1.335	11	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	122.4040	1.472	2	122.4040	2.167	2	121.3535	1.335	11	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	118.9070	0.000	1	118.9070	0.000	1	121.3535	1.335	11	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.5800	0.459	3	121.5800	0.211	3	121.3535	1.335	11	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]2){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CH)	122.3120	0.000	1	122.3120	0.000	1	121.3535	1.335	11	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(BC[6a]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.4585	0.373	2	121.4585	0.139	2	121.3535	1.335	11	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(B[5]O[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(CSi)	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3647	0.678	6	120.3647	0.460	6	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.5365	1.507	2	122.5365	2.271	2	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	122.4230	0.000	1	122.4230	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	122.1950	0.000	1	122.1950	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	119.8900	0.000	1	119.8900	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	121.7070	0.000	1	121.7070	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CSi)	121.6450	0.000	1	121.6450	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[3])	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[3]){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.6550	0.000	1	120.6550	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	122.5320	0.201	2	122.5320	0.040	2	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	121.2380	0.249	2	121.2380	0.062	2	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHO){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	120.6380	0.000	1	120.6380	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.6283	4.713	3	118.9988	15.355	4	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.1100	0.000	1	118.9988	15.355	4	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	125.0000	0.000	1	125.0000	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	124.8160	0.000	1	124.8160	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	123.5945	0.021	2	123.5945	0.000	2	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	124.0194	0.795	14	123.7933	2.289	42	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	123.6802	1.770	28	123.7933	2.289	42	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(COO){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	123.1750	0.000	1	123.1750	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(CC[5]O)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CC[5]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	121.5090	0.000	1	121.5090	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]C[6])	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]C[6]){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.6880	0.000	1	118.6880	0.000	1	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.7622	2.090	6	120.7622	4.367	6	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.0091	0.910	31	121.0091	0.829	31	122.1605	4.266	109	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	C(C[6a]C[6a]2)(NMn)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,3|N<2>}	C(C[6a]C[6a]2)(NMn)	124.1370	0.000	1	124.1370	0.000	1	124.1370	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(CC)	119.9605	0.921	2	119.9605	0.849	2	120.9877	3.590	3	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CH)	123.0420	0.000	1	123.0420	0.000	1	120.9877	3.590	3	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(CC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.0680	0.000	1	120.0680	0.000	1	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(CC){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.2820	0.000	1	119.2820	0.000	1	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CSi)	120.7410	0.211	3	120.7410	0.044	3	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC)	121.5010	1.150	3	121.5010	1.322	3	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC)	119.6573	0.736	4	120.4358	2.156	6	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(CC)	121.9930	1.372	2	120.4358	2.156	6	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[6a])	123.5695	1.833	4	123.5695	3.360	4	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CH)	123.4300	0.000	1	123.4300	0.000	1	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CPt)	120.2350	0.000	1	120.2350	0.000	1	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CSi)	121.5490	0.000	1	121.5490	0.000	1	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC)	119.6725	0.234	2	119.6725	0.055	2	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC)	121.4240	0.000	1	121.4240	0.000	1	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.4465	0.327	2	121.4465	0.107	2	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6055	0.690	4	120.5970	0.357	5	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.5630	0.000	1	120.5970	0.357	5	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CSi)	120.1395	0.093	2	120.1395	0.009	2	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CC){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.0515	0.281	2	120.0515	0.079	2	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)2(CC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C(C[6a]C[6a]2)(CC)	119.0453	0.984	7	119.0453	0.968	7	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)2(CC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.6419	2.092	18	119.7038	3.566	22	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]2)2(CC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	119.9825	0.165	4	119.7038	3.566	22	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]2)2(CC){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CH)	120.7170	0.522	2	120.7170	0.272	2	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]2)2(CC){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CH)	118.9860	1.054	2	119.4336	0.589	8	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]2)2(CC){2|C<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CH)	119.5828	0.704	6	119.4336	0.589	8	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CC){6|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[6a])	118.5510	0.000	1	118.5510	0.000	1	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(CC){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|Br<1>,1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.3525	0.462	2	121.3525	0.213	2	120.2620	2.716	77	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	123.1440	0.000	1	123.1440	0.000	1	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.9840	1.735	3	120.9840	3.009	3	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(CC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5a])	120.8130	0.038	2	120.8130	0.001	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	114.1020	0.000	1	114.1020	0.000	1	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.9450	1.409	4	120.9450	1.984	4	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	121.0190	0.980	2	121.0190	0.960	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.5573	0.625	7	120.1808	0.751	15	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.0443	0.839	7	120.1808	0.751	15	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.5010	0.000	1	120.1808	0.751	15	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	119.5287	0.459	3	119.6333	0.184	4	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CH)	119.9470	0.000	1	119.6333	0.184	4	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	124.1660	0.000	1	124.1660	0.000	1	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CAu)	119.1930	0.115	2	119.1930	0.013	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	119.5190	0.000	1	119.5190	0.000	1	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	117.7870	0.000	1	118.3555	0.646	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.9240	0.000	1	118.3555	0.646	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.2660	0.000	1	120.2660	0.000	1	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	119.8965	0.227	2	119.8965	0.052	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.3794	1.742	5	121.3794	3.034	5	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	125.3730	0.000	1	125.3730	0.000	1	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[5])	124.7170	0.000	1	124.7170	0.000	1	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CH)	126.5705	0.540	2	126.5705	0.291	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6])	118.4330	0.120	2	118.4330	0.014	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(NHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.5945	0.690	8	120.5945	0.477	8	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)2(NHN)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	122.0146	1.425	5	122.0146	2.029	5	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]N)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	120.2577	0.475	13	120.2577	0.225	13	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]N)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CSi)	120.4095	2.732	2	120.4095	7.461	2	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]N)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a])	119.5153	0.150	3	119.5153	0.023	3	120.6297	3.449	83	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NN)	123.9690	0.000	1	123.9690	0.000	1	120.5430	4.250	7	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NErC)	C(C[6a]C[6a]2)(NEr)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NErC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NEr)	120.7990	0.000	1	120.7990	0.000	1	120.5430	4.250	7	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C(C[6a]C[6a]2)(NCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NCo)	117.9350	0.000	1	117.9350	0.000	1	120.5430	4.250	7	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNiC)	C(C[6a]C[6a]2)(NB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NB)	118.2260	0.000	1	118.2260	0.000	1	120.5430	4.250	7	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NZnC)	C(C[6a]C[6a]2)(NZn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NZnC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NZn)	120.9573	0.712	3	120.9573	0.507	3	120.5430	4.250	7	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NRh)	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CPt)	123.5380	0.000	1	123.5380	0.000	1	123.5380	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:2:	N[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]H)	C(C[6a]N[5a,6a]C[6a])(CSi)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(CSi)	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	121.1695	3.915	349	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(ONi2)	C(C[6a]C[6a]2)(NNiO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(ONi2){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NNiO)	124.1790	0.000	1	124.1790	0.000	1	124.4740	0.174	2	124.4740	0.174	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(OZn2)	C(C[6a]C[6a]2)(NZnC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(OZn2){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NZnC)	124.7690	0.000	1	124.7690	0.000	1	124.4740	0.174	2	124.4740	0.174	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]O)(CC3)	C(C[6a]C[6,6a]C[6a])(N)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(CN){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]O)(CC3){2|C<3>}	C(C[6a]C[6,6a]C[6a])(N)	122.8900	0.284	2	122.8900	0.081	2	122.8900	0.081	2	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CC[5]HH)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CC[5]HH){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	119.8500	0.000	1	119.8500	0.000	1	119.8500	0.000	1	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCCH)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCCH){3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	120.9630	0.000	1	120.9630	0.000	1	121.0043	0.108	3	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCN)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCN){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N)	121.3520	0.000	1	121.3520	0.000	1	121.0043	0.108	3	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a,6a]C[6a])(N)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a,6a]C[6a])(N)	120.6980	0.000	1	120.6980	0.000	1	121.0043	0.108	3	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN)	C[6a](C[4,6a]C[4,6a]Se[4])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN){1|Se<2>,1|C<3>,1|C<4>}	C[6a](C[4,6a]C[4,6a]Se[4])(C[6a]C[6a]C)(CCHH){1|Se<2>,1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	119.3640	0.020	2	119.3640	0.000	2	119.3640	0.000	2	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CN)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CN){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<2>,4|C<3>}	C(C[6a]C[6a]2)(N)	119.1605	1.160	2	119.1605	1.346	2	119.1605	1.346	2	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(CN){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N)	119.9320	0.182	2	119.9320	0.033	2	119.9320	0.033	2	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.0230	0.359	2	120.0230	0.129	2	120.0230	0.129	2	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CN){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.6460	0.000	1	120.6460	0.000	1	121.8192	0.825	4	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	121.9425	0.459	2	121.9425	0.211	2	121.8192	0.825	4	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CN){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	122.7460	0.000	1	122.7460	0.000	1	121.8192	0.825	4	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CN){3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.2110	0.000	1	119.2110	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.6640	0.366	4	118.6640	0.134	4	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.6995	0.511	4	119.6995	0.261	4	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){3|C<3>}	C(C[6a]C[6a]2)(N)	121.0640	0.000	1	121.0640	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(CF3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(CF3){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.0690	0.000	1	120.0690	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.5875	0.238	2	117.5875	0.057	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC3){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.8780	0.000	1	121.8780	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.2840	0.000	1	121.2840	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.2730	0.000	1	118.2730	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.1370	0.000	1	119.1370	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CC)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	121.8510	0.000	1	121.8510	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.5750	0.000	1	119.5750	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.3125	0.231	2	119.7941	0.499	12	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.8904	0.737	10	119.7941	0.499	12	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	122.0363	0.467	12	122.0363	0.218	12	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.8210	0.000	1	118.9325	0.025	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.0440	0.000	1	118.9325	0.025	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.0520	0.741	2	121.0520	0.549	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.2655	1.471	2	120.2655	2.165	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.0230	0.000	1	119.6370	0.351	3	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.9550	0.000	1	119.6370	0.351	3	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.9330	0.000	1	119.6370	0.351	3	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.5707	0.998	3	120.5707	0.995	3	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.8960	0.728	2	120.8960	0.530	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.2693	0.505	3	120.2693	0.255	3	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.7903	0.133	3	119.9250	1.142	8	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	119.4058	1.044	5	119.9250	1.142	8	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	118.5180	0.833	2	118.5180	0.694	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.2975	0.214	2	120.2975	0.046	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	120.9320	0.000	1	120.9320	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.9355	0.965	2	118.9355	0.932	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.0005	0.721	2	121.0005	0.519	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)2(CC[5]HH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.4510	0.000	1	120.4510	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.6890	0.000	1	118.6890	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CN)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CH3){1|S<2>,2|C<3>}	C(C[6a]C[6a]2)(N)	119.1200	0.000	1	119.1200	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.6330	0.000	1	119.6330	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	117.7680	0.000	1	117.7680	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>}	C(C[6a]C[6a]2)(N)	118.9050	0.000	1	118.9050	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)2(CH3){1|N<2>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.1535	0.266	4	119.1535	0.071	4	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.5960	0.952	2	121.5960	0.906	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	120.0615	0.081	2	120.0615	0.007	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N)	119.7425	0.124	2	119.7425	0.015	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	122.4880	0.011	2	122.4880	0.000	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	124.2350	0.000	1	124.2350	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	121.6915	0.626	4	121.3845	0.438	14	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.6778	0.805	4	121.3845	0.438	14	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.1390	0.000	1	121.3845	0.438	14	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	121.2600	0.000	1	121.3845	0.438	14	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	120.5830	0.000	1	121.3845	0.438	14	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.8725	0.754	2	121.3845	0.438	14	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	121.1790	0.000	1	121.3845	0.438	14	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	121.0985	1.568	2	121.0985	2.458	2	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N)	120.3716	0.835	9	120.3716	0.698	9	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CF3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CF3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	117.6060	0.000	1	117.6060	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N)	120.1103	0.359	4	119.7747	0.488	6	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	119.1035	0.838	2	119.7747	0.488	6	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	118.5450	0.000	1	117.9942	0.181	5	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	117.4340	0.000	1	117.9942	0.181	5	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N)	117.9973	0.233	3	117.9942	0.181	5	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N)	119.6260	0.000	1	119.6260	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	C(C[6a]C[6a]2)(N)	117.9870	0.000	1	117.9870	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)2(CCCF)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]C)2(CCCF){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N)	120.6050	0.000	1	120.6050	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N)	118.3500	0.733	2	119.0164	0.506	5	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N)	119.4607	0.066	3	119.0164	0.506	5	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.3520	0.000	1	119.3362	0.621	10	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.9265	0.175	2	119.3362	0.621	10	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)2(CN){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<2>,3|C<3>}	C(C[6a]C[6a]2)(N)	119.1653	0.881	7	119.3362	0.621	10	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N)	117.6330	0.000	1	117.6330	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CN){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)2(CH3){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.8580	0.000	1	118.8580	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N)	120.0860	0.000	1	120.0860	0.000	1	120.0784	1.807	154	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)2(CO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(O)	117.9455	0.248	4	117.9455	0.062	4	117.7135	0.256	6	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)2(CO)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(CO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(O)	117.2495	0.670	2	117.2495	0.448	2	117.7135	0.256	6	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-1:	C[6a](C[6a]C[6a]C)2(CS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]C)2(CS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(S)	118.6792	0.286	4	118.6792	0.082	4	118.6792	0.082	4	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N[6])(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N[6])(CN){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N)	118.7090	0.202	2	118.7090	0.041	2	118.7090	0.041	2	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	121.1520	0.000	1	121.1520	0.000	1	121.1520	0.000	1	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(N)	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.1601	1.025	7	121.1601	1.051	7	121.1601	1.051	7	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2Ir)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2Ir){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	121.4460	0.000	1	121.4460	0.000	1	122.2230	1.207	2	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2Ru)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2Ru){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	123.0000	0.000	1	123.0000	0.000	1	122.2230	1.207	2	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(SiC3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CN){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(SiC3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N)	120.7605	0.340	2	120.7605	0.116	2	120.4390	0.368	3	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC3){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N)	119.7960	0.000	1	119.7960	0.000	1	120.4390	0.368	3	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N)	118.6900	0.000	1	118.6900	0.000	1	118.6900	0.000	1	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(CN)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(CN){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,2|N<2>}	C(C[6a]C[6a]2)(N)	121.0910	0.000	1	121.0910	0.000	1	121.0910	0.000	1	120.0972	1.971	200	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(SiC3)	C(C[6a]C[5,6a]C[6a])(CSi)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(SiC3){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6a]C[5,6a]C[6a])(CSi)	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C)(CC)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	C(C[6a]C[6a,6a]C[6a])(CC[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C)(CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a])	119.3825	0.766	2	119.3825	0.586	2	119.3825	0.586	2	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]P)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]P)(CC){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CP)	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CC){5|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CH3){5|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.3170	1.769	2	120.3170	3.130	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC3)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.0933	0.971	3	122.0933	0.943	3	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.3920	0.000	1	120.4665	0.070	4	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.4913	0.319	3	120.4665	0.070	4	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.1902	1.278	4	118.5880	17.260	6	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	113.3835	0.375	2	118.5880	17.260	6	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.8675	0.690	8	120.8675	0.476	8	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	121.1510	0.000	1	121.1510	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CS)	120.6872	0.509	6	120.6872	0.259	6	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CSe)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSe)	120.5207	0.895	4	120.5207	0.801	4	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.6885	0.800	2	120.6885	0.640	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.5200	0.824	2	120.5200	0.680	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	122.0870	0.000	1	122.0870	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	122.2450	0.000	1	122.2450	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.2555	0.309	2	122.2555	0.095	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCo2C)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCo2C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	114.1095	0.381	2	114.1095	0.145	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	122.9010	0.000	1	122.9010	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	122.1605	0.081	2	122.1605	0.007	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	122.9565	0.118	2	122.9565	0.014	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	118.6410	0.000	1	118.6410	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5])	120.3890	0.000	1	120.3890	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.7180	0.000	1	118.9510	2.892	5	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	120.0980	0.000	1	118.9510	2.892	5	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.3130	2.055	3	118.9510	2.892	5	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CI)	121.3300	0.000	1	121.3300	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CIr)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CIr)	121.6070	0.000	1	121.6070	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CPt)	120.6200	0.000	1	120.6425	0.001	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CPt)	120.6650	0.000	1	120.6425	0.001	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC)	120.7790	0.000	1	120.6830	0.374	7	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC)	120.6670	0.668	6	120.6830	0.374	7	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3990	0.000	1	120.3687	0.488	20	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.3671	0.717	19	120.3687	0.488	20	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC)	120.4855	1.121	2	120.4855	1.256	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CRu)	122.6690	0.318	2	123.1297	0.687	3	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	C(C[6a]C[6a]2)(CRu)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CRu)	124.0510	0.000	1	123.1297	0.687	3	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	118.9630	0.000	1	118.9630	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(CCHH)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.3107	1.005	4	120.3107	1.011	4	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(CCHH)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	121.2050	0.000	1	121.2050	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)2(CN[5]HH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.0427	0.530	12	121.0427	0.281	12	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	120.5680	0.269	2	120.1097	0.424	4	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC[6a])	119.6515	0.599	2	120.1097	0.424	4	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.7630	0.929	2	119.7630	0.863	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC)	119.5881	0.490	8	119.5881	0.240	8	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a])	119.8580	1.952	2	119.8580	3.809	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CSi)	119.9420	0.925	2	119.9420	0.855	2	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C)2(CC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a])	121.2260	0.000	1	121.2260	0.000	1	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CAu)	119.6796	1.209	8	119.7810	1.204	10	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(CAu)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CAu)	120.1865	0.432	2	119.7810	1.204	10	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(CC[5])	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CH3){1|B<3>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC[5])	119.4247	0.976	12	119.4247	0.952	12	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CH)	119.4263	0.953	4	119.3197	0.636	6	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CH)	119.1065	0.562	2	119.3197	0.636	6	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)2(CH3)	C(C[6a]C[6a]2)(CPt)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CH3){1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CPt)	120.0717	0.823	4	120.0717	0.677	4	120.2874	2.447	161	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(NH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NH)	118.6040	0.000	1	118.6040	0.000	1	118.4475	1.255	18	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(NMg)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NMg)	119.0120	0.000	1	119.0120	0.000	1	118.4475	1.255	18	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(NRh)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NRh)	119.2865	0.066	2	119.2865	0.004	2	118.4475	1.255	18	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(NSn)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NSn)	119.6235	0.308	2	119.6235	0.095	2	118.4475	1.255	18	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	C(C[6a]C[6a]2)(NAl)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NAl)	117.5840	1.045	8	117.5840	1.092	8	118.4475	1.255	18	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	C(C[6a]C[6a]2)(NTa)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NTa)	118.5080	0.907	2	118.5080	0.822	2	118.4475	1.255	18	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(NW)	C[6a](C[6a]C[6a]C)2(CN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NW)	119.4655	0.456	2	119.4655	0.208	2	118.4475	1.255	18	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(NO)	122.1880	0.000	1	122.1880	0.000	1	122.1245	0.008	2	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H)	C(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(NO)	122.0610	0.000	1	122.0610	0.000	1	122.1245	0.008	2	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NAu3)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NAu3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.2325	1.240	2	121.2325	1.537	2	121.1022	1.219	4	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NAu3)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NAu3){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CSi)	121.9850	0.000	1	121.9850	0.000	1	121.1022	1.219	4	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NIrHH)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NIrHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	119.9590	0.000	1	119.9590	0.000	1	121.1022	1.219	4	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]P)(CC)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(PC[6a]2O)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]P)(CC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(PC[6a]2O){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CP)	122.4210	0.000	1	122.4210	0.000	1	122.7145	0.172	2	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2O)	C(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2O){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CP)	123.0080	0.000	1	123.0080	0.000	1	122.7145	0.172	2	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCOO)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCOO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a])	123.0815	0.067	2	123.0815	0.005	2	123.0887	0.002	3	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCOO)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SCOO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	123.1030	0.000	1	123.1030	0.000	1	123.0887	0.002	3	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC[6a]2F)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC[6a]2F){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CH)	120.7457	0.778	3	120.7457	0.606	3	119.8622	0.704	25	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC[6a]2F)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC[6a]2F){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	120.3297	0.854	3	120.3297	0.730	3	119.8622	0.704	25	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC[6a]2F)	C(C[6a]C[6a]2)(CSn)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC[6a]2F){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSn)	120.1253	0.345	12	120.1253	0.119	12	119.8622	0.704	25	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC[6a]2H)	C(C[6a]C[6a]2)(CSi)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC[6a]2H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CSi)	118.6093	0.582	3	118.6093	0.339	3	119.8622	0.704	25	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC3)	C(C[6a]C[6a]2)(CV)	C[6a](C[6a]C[6a]Si)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SiC3){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CV)	118.9990	0.493	4	118.9990	0.243	4	119.8622	0.704	25	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC)	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3)	C(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC){1|B<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC)	119.8100	1.254	2	119.8100	1.574	2	119.8100	1.574	2	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:2:	C[6a]-3:N[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CC){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC)	121.7490	0.000	1	121.7490	0.000	1	121.7490	0.000	1	120.1628	2.563	222	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]C)2(CN[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]C)2(CN[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)	119.9210	0.171	2	119.9210	0.029	2	119.9210	0.029	2	121.2437	5.263	3	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)	123.8890	0.000	1	123.8890	0.000	1	123.8890	0.000	1	121.2437	5.263	3	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CCHH)	119.5475	0.350	2	119.5475	0.123	2	119.5475	0.123	2	119.5475	0.123	2	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:4:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C[5])(CN)	C[6a](C[6a]C[5a,6a]C)(C[5]C[5]2Fe)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C[5])(CN){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5a,6a]C)(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6a]C[5a,6a]C[6a])(N)	124.9940	0.000	1	124.9940	0.000	1	124.9940	0.000	1	125.3817	0.246	3	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:4:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]O[6a]O)(CN){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C(C[6a]C[6a]2)(N)	125.5755	0.515	2	125.5755	0.266	2	125.5755	0.266	2	125.3817	0.246	3	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	3:4:3:	3:2:	C[4,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C[4])(CC)	C[6a](C[6a]C[4,6a]C)(C[4]C[4]2Co)(C[6a]C[6a]H)	C(C[6a]C[4,6a]C[6a])(CC[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C[4])(CC){1|Co<9>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[4,6a]C)(C[4]C[4]2Co)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[4,6a]C[6a])(CC[6a])	115.9470	0.000	1	115.9470	0.000	1	115.9470	0.000	1	115.9470	0.000	1	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN){1|C<3>,1|H<1>,1|O<2>}	C[6a](CC[6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N)	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	121.3274	2.019	10	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N)	123.0520	0.000	1	123.0520	0.000	1	121.4346	2.513	5	121.3274	2.019	10	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.8090	0.000	1	120.3060	0.243	3	121.4346	2.513	5	121.3274	2.019	10	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N)	120.0545	0.327	2	120.3060	0.243	3	121.4346	2.513	5	121.3274	2.019	10	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(CN)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(CN){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N)	123.2030	0.000	1	123.2030	0.000	1	121.4346	2.513	5	121.3274	2.019	10	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	122.7490	0.315	2	122.7490	0.099	2	121.5020	2.140	4	121.3274	2.019	10	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N)	120.2550	0.318	2	120.2550	0.101	2	121.5020	2.140	4	121.3274	2.019	10	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC)	C[6a](C[4]C[4]2Co)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC){1|Co<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[4]C[4]2Co)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[6a])	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	119.9060	13.228	5	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a])	123.2060	0.000	1	123.2060	0.000	1	121.6530	4.824	2	119.9060	13.228	5	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CH)	120.1000	0.000	1	120.1000	0.000	1	121.6530	4.824	2	119.9060	13.228	5	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(CH)	120.7080	0.000	1	120.7080	0.000	1	121.2365	0.559	2	119.9060	13.228	5	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	4:3:3:	3:2:	C[6a]-3:C[6a]-3:C-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[6a])	121.7650	0.000	1	121.7650	0.000	1	121.2365	0.559	2	119.9060	13.228	5	120.3529	2.343	14672	120.3348	2.413	15498
643	643	983	0:SP2_SP1_SP2	C[6a]	C[6a]	C	3:3:2:	6:3:3:	3:1:	C[6a]-3:C[6a]-3:C-2:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(CN)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]2)(N)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(CN){1|C<3>,2|C<6>,2|H<1>,8|B<6>}	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<6>,5|B<6>,6|H<1>}	C(C[6a]C[6a]2)(N)	118.3230	0.478	2	118.3230	0.228	2	118.3230	0.228	2	118.3230	0.228	2	120.3529	2.343	14672	120.3348	2.413	15498