818	727	880	0:SP2_SP2_SP3	C[5]	C[5,5a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	Si(C[5]C[5,5a]C[5,6a])(CC3)(CH3)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	Si(C[5]C[5,5a]C[5,6a])(CC3)(CH3)2	131.0650	0.000	1	131.0650	0.000	1	132.8430	6.323	2	132.8430	6.323	2	132.8430	6.323	2	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,5a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	Si(C[5]C[5,5a]C[5,6a])(CH3)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	Si(C[5]C[5,5a]C[5,6a])(CH3)3	134.6210	0.000	1	134.6210	0.000	1	132.8430	6.323	2	132.8430	6.323	2	132.8430	6.323	2	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:3:3:3:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	Si(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|O<1>,2|C<3>,2|H<1>}	Si(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H)	Si(C[5]C[5,6a]2)(C[6a]C[6a]2)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si(C[5]C[5,6a]2)(C[6a]C[6a]2)(CH3)2	127.3200	5.237	2	127.3200	27.424	2	127.3200	27.424	2	126.7977	14.531	3	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	Si(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|C<4>,2|H<1>,3|C<3>}	Si(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)2	125.7530	0.000	1	125.7530	0.000	1	125.7530	0.000	1	126.7977	14.531	3	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,5]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	Si(C[5]C[5,6a]C[5,5])(CC3)(CH3)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si(C[5]C[5,6a]C[5,5])(CC3)(CH3)2	126.1460	0.000	1	126.1460	0.000	1	127.5770	4.096	2	125.8831	6.717	14	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,5]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	Si(C[5]C[5,6a]C[5,5])(CH3)3	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si(C[5]C[5,6a]C[5,5])(CH3)3	129.0080	0.000	1	129.0080	0.000	1	127.5770	4.096	2	125.8831	6.717	14	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H)	Si(C[5]C[5,5a]C[5,6a])(CH3)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si(C[5]C[5,5a]C[5,6a])(CH3)3	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	125.8831	6.717	14	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si)	Si(C[5]C[5,5a]C[5,6a])(CC3)(CH3)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si){1|H<1>,4|C<3>}	Si(C[5]C[5,5a]C[5,6a])(CC3)(CH3)2	123.6900	0.000	1	123.6900	0.000	1	123.6900	0.000	1	125.8831	6.717	14	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[5,5]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(SiC3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	Si(C[5]C[5,6a]C[5,5])(CC3)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(SiC3){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	Si(C[5]C[5,6a]C[5,5])(CC3)(CH3)2	126.2680	0.796	2	126.2680	0.634	2	126.8495	0.666	4	125.8831	6.717	14	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[5,5]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(SiC3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	Si(C[5]C[5,6a]C[5,5])(CC3)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(SiC3){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	Si(C[5]C[5,6a]C[5,5])(CC3)(CH3)2	127.4310	0.106	2	127.4310	0.011	2	126.8495	0.666	4	125.8831	6.717	14	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[5,6]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H)	Si(C[5]C[5,6a]C[5,6])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	Si(C[5]C[5,6a]C[5,6])(CH3)3	122.5925	0.544	2	122.5925	0.296	2	122.5925	0.296	2	125.8831	6.717	14	125.9479	7.135	18	126.6374	11.221	20
818	727	880	0:SP2_SP2_SP3	C[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	Si(C[5]C[5,6a]C[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|Si<4>,1|C<3>,3|H<1>}	Si(C[5]C[5,6a]C[5])(CH3)3	127.6767	0.224	4	127.6767	0.050	4	127.6767	0.050	4	125.8831	6.717	14	125.9479	7.135	18	126.6374	11.221	20
818	727	891	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,5]-3:S[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5])(S[5]C[5])	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5])(S[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	S[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]C){1|B<4>,1|H<1>,2|C<3>}	134.6780	0.000	1	134.6780	0.000	1	134.6780	0.000	1	134.6780	0.000	1	134.6780	0.000	1	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:2:	C[5a]-3:N[5]-2:S[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	S[5](C[5]C[5a]N[5])(C[5]C[5])	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5]){1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){1|C<2>,3|C<3>}	S[5](C[5]C[5a]N[5])(C[5]C[5]){1|N<2>,1|O<2>,1|S<2>}	121.8550	0.000	1	121.8550	0.000	1	121.8550	0.000	1	121.8550	0.000	1	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,5]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,5])2	C[5a](S[5a]C[5,5a])2(C[5]S[5]2)	S[5](C[5,5]C[5,5]S[5])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,5])2{2|C<3>,2|S<2>}	C[5a](S[5a]C[5,5a])2(C[5]S[5]2){2|C<3>,2|S<2>}	S[5](C[5,5]C[5,5]S[5])(C[5]C[5a]S[5]){1|C<4>,3|S<2>}	122.4700	1.281	2	122.4700	1.642	2	122.4700	1.642	2	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,6])2	C[5a](S[5a]C[5,5a])2(C[5]S[5]2)	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,6])2{2|C<3>,2|S<2>}	C[5a](S[5a]C[5,5a])2(C[5]S[5]2){2|C<3>,2|S<2>}	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5]){1|C<3>,3|S<2>}	122.3870	0.830	2	122.5085	0.473	4	121.8961	3.344	38	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,6])2	C[5a](S[5a]C[5,5a])2(C[5]S[5]2)	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,6])2{2|C<3>,2|S<2>}	C[5a](S[5a]C[5,5a])2(C[5]S[5]2){2|C<3>,2|S<2>}	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5]){1|C<4>,3|S<2>}	122.6300	0.819	2	122.5085	0.473	4	121.8961	3.344	38	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,6])2	C[5a](S[5a]C[5a,6a])2(C[5]S[5]2)	S[5](C[5,6]C[5,6]O[6])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,6])2{2|C<3>,2|O<2>}	C[5a](S[5a]C[5a,6a])2(C[5]S[5]2){4|C<3>}	S[5](C[5,6]C[5,6]O[6])(C[5]C[5a]S[5]){1|C<4>,1|O<2>,2|S<2>}	121.6880	0.572	4	121.6880	0.327	4	121.8961	3.344	38	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,6])2	C[5a](S[5a]C[5a])2(C[5]S[5]2)	S[5](C[5,6]C[5,6]O[6])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,6])2{2|C<3>,2|O<2>}	C[5a](S[5a]C[5a])2(C[5]S[5]2){1|O<1>,3|C<3>}	S[5](C[5,6]C[5,6]O[6])(C[5]C[5a]S[5]){1|C<4>,1|O<2>,2|S<2>}	121.2616	1.779	16	121.2616	3.164	16	121.8961	3.344	38	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,6])2	C[5a](S[5a]C[5a])2(C[5]S[5]2)	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,6])2{2|C<3>,2|S<2>}	C[5a](S[5a]C[5a])2(C[5]S[5]2){1|C<4>,3|C<3>}	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5]){1|C<2>,3|S<2>}	122.5340	0.898	2	122.5059	4.658	14	121.8961	3.344	38	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,6])2	C[5a](S[5a]C[5a])2(C[5]S[5]2)	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,6])2{2|C<3>,2|S<2>}	C[5a](S[5a]C[5a])2(C[5]S[5]2){1|C<4>,3|C<3>}	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5]){1|C<4>,3|S<2>}	122.3565	0.418	2	122.5059	4.658	14	121.8961	3.344	38	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,6])2	C[5a](S[5a]C[5a])2(C[5]S[5]2)	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,6])2{2|C<3>,2|S<2>}	C[5a](S[5a]C[5a])2(C[5]S[5]2){1|O<1>,3|C<3>}	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5]){1|C<4>,3|S<2>}	122.5301	2.572	10	122.5059	4.658	14	121.8961	3.344	38	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5,6a])2	C[5a](S[5a]C[5a])2(C[5]S[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])	C[5](C[5a]S[5a]2)(S[5]C[5,6a])2{4|C<3>}	C[5a](S[5a]C[5a])2(C[5]S[5]2){1|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]){1|H<1>,2|C<3>,2|S<2>}	121.8967	2.125	12	121.8967	4.516	12	121.8967	4.516	12	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5])2	C[5a](S[5a]C[5,5a])2(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]C)	C[5](C[5a]S[5a]2)(S[5]C[5])2{4|C<3>}	C[5a](S[5a]C[5,5a])2(C[5]S[5]2){2|C<3>,2|S<2>}	S[5](C[5]C[5a]S[5])(C[5]C[5]C){1|C<3>,2|S<2>}	122.5350	0.000	1	122.5350	0.000	1	122.7666	0.663	57	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5])2	C[5a](S[5a]C[5,5a])2(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]H)	C[5](C[5a]S[5a]2)(S[5]C[5])2{2|C<3>,2|H<1>}	C[5a](S[5a]C[5,5a])2(C[5]S[5]2){2|C<3>,2|S<2>}	S[5](C[5]C[5a]S[5])(C[5]C[5]H){1|H<1>,2|S<2>}	122.7384	0.758	50	122.7384	0.575	50	122.7666	0.663	57	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5])2	C[5a](S[5a]C[5,5a])2(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]S)	C[5](C[5a]S[5a]2)(S[5]C[5])2{2|C<3>,2|S<2>}	C[5a](S[5a]C[5,5a])2(C[5]S[5]2){2|C<3>,2|S<2>}	S[5](C[5]C[5a]S[5])(C[5]C[5]S){3|S<2>}	123.4810	1.438	2	123.4810	2.069	2	122.7666	0.663	57	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	S[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]S[5a]2)(S[5]C[5])2	C[5a](S[5a]C[5a])2(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]S)	C[5](C[5a]S[5a]2)(S[5]C[5])2{2|C<3>,2|S<2>}	C[5a](S[5a]C[5a])2(C[5]S[5]2){1|O<1>,3|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]S){3|S<2>}	122.8187	1.386	4	122.8187	1.921	4	122.7666	0.663	57	122.3619	2.152	109	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:4:	C[5a]-3:N[5]-2:S[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	S[5](C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){1|C<4>,3|C<3>}	S[5](C[5]C[5a]N[5])(C[5]C[5]CC){1|N<2>,1|O<1>,1|S<2>}	118.4790	0.896	4	118.4662	0.603	5	118.8643	1.434	6	118.8643	1.434	6	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:4:	C[5a]-3:N[5]-2:S[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	S[5](C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){2|C<3>,2|C<4>}	S[5](C[5]C[5a]N[5])(C[5]C[5]CC){1|N<2>,1|S<2>,2|H<1>}	118.4150	0.000	1	118.4662	0.603	5	118.8643	1.434	6	118.8643	1.434	6	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	2:2:3:	3:4:	C[5a]-3:N[5]-2:S[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	S[5](C[5]C[5a]N[5])(C[5]C[5]HH)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5]){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){2|C<3>,2|C<4>}	S[5](C[5]C[5a]N[5])(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	120.8550	0.000	1	120.8550	0.000	1	118.8643	1.434	6	118.8643	1.434	6	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:2:	3:2:	C[5a]-3:C[5]-2:S[5]-2:	C[5]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5]-2:	C[5](C[5a]N[5a]S[5a])(C[5]C[5])(S[5]C[5])	C[5a](C[5]C[5]S[5])(N[5a]C[5a])(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5])	C[5](C[5a]N[5a]S[5a])(C[5]C[5])(S[5]C[5]){2|C<3>}	C[5a](C[5]C[5]S[5])(N[5a]C[5a])(S[5a]C[5a]){2|C<2>,2|C<3>}	S[5](C[5]C[5a]C[5])(C[5]C[5]){1|N<2>,1|S<2>}	121.2555	1.463	2	121.2555	2.140	2	121.2555	2.140	2	121.2555	2.140	2	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:S[5]-2:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-2:	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5])	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){1|C<2>,2|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]){1|C<3>,1|H<1>,1|S<2>}	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5,6])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5])	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5,6])2{2|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5]){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	122.9270	0.225	2	122.9270	0.051	2	122.9270	0.051	2	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]S)	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2{2|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]S){1|C<3>,1|O<2>,1|S<2>}	122.4290	0.690	2	122.4290	0.476	2	122.0712	1.305	18	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]H)	C[5](C[5a]C[5a,6a]O[5a])(S[5]C[5])2{1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2){1|N<2>,4|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|O<2>}	122.0265	1.195	16	122.0265	1.428	16	122.0712	1.305	18	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(S[5]C[5,6])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5])	C[5](C[5a]C[5a]S[5a])(S[5]C[5,6])2{1|C<3>,1|O<1>,3|S<2>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	S[5](C[5,6]C[5,6]S[6])(C[5]C[5a]S[5]){1|C<3>,1|C<4>,2|S<2>}	122.5625	1.262	4	122.5625	1.593	4	121.9358	1.067	12	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(S[5]C[5,6])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5](C[5,6]C[5,6]Se[6])(C[5]C[5a]S[5])	C[5](C[5a]C[5a]S[5a])(S[5]C[5,6])2{2|Se<2>,1|C<3>,1|O<1>,1|S<2>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	S[5](C[5,6]C[5,6]Se[6])(C[5]C[5a]S[5]){1|Se<2>,1|C<3>,1|C<4>,1|S<2>}	121.6225	0.811	8	121.6225	0.658	8	121.9358	1.067	12	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|S<2>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]H){1|C<3>,1|I<1>,1|S<2>}	120.9560	0.000	1	122.7973	6.170	22	122.8282	5.725	25	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){1|C<2>,2|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]H){1|C<3>,1|S<2>}	129.5490	0.000	1	122.7973	6.170	22	122.8282	5.725	25	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|S<2>}	122.5517	2.044	20	122.7973	6.170	22	122.8282	5.725	25	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]I)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|S<2>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]I){1|C<3>,1|H<1>,1|S<2>}	123.9500	0.000	1	123.0547	3.827	3	122.8282	5.725	25	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]I)	C[5](C[5a]C[5a]S[5a])(S[5]C[5])2{1|C<3>,1|O<1>,1|S<2>,2|I<1>}	C[5a](C[5a]S[5a]O)(S[5a]C[5a])(C[5]S[5]2){3|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]I){1|C<3>,1|I<1>,1|S<2>}	122.6070	2.540	2	123.0547	3.827	3	122.8282	5.725	25	122.4047	3.233	57	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:C[5]-2:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5])(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5])(S[5]C[5]){2|C<3>,3|H<1>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5](C[5]C[5a]C[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|S<2>}	122.7170	0.000	2	122.7170	0.000	2	122.7170	0.000	2	122.7170	0.000	2	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:2:2:	3:3:3:	3:3:	C[5a]-3:S[5]-2:S[5]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]2)(S[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5]C[5a]S[5])(C[5]C[5]S)	C[5](C[5a]C[5a,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	S[5](C[5]C[5a]S[5])(C[5]C[5]S){1|S<2>,2|C<3>}	123.2223	1.655	4	123.2223	2.739	4	123.2223	2.739	4	123.2223	2.739	4	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:2:2:	3:3:	C[5a]-3:N[5]-3:S[5]-2:	C[5]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)(S[5]C[5])	C[5a](C[5]N[5]S[5])(N[5a]C[5a])(S[5a]C[5a])	S[5](C[5]C[5a]N[5])(C[5]C[6a]C[5])	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)(S[5]C[5]){1|C<4>,3|C<3>}	C[5a](C[5]N[5]S[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>}	S[5](C[5]C[5a]N[5])(C[5]C[6a]C[5]){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	124.6020	0.000	1	124.6020	0.000	1	124.6020	0.000	1	124.6020	0.000	1	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[5]C[5]S[5]){1|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	124.7205	0.684	2	124.7205	0.468	2	124.7205	0.468	2	124.7205	0.468	2	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:S[5]-2:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]Cl)(S[5]S[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a])	S[5](C[5]C[5a]C[5])(S[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]N[5]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a]){2|Cl<1>,1|N<2>,1|S<2>}	S[5](C[5]C[5a]C[5])(S[5]N[5]){1|Cl<1>,1|C<3>,1|S<2>}	121.0015	0.237	2	121.0015	0.056	2	121.0015	0.056	2	121.0015	0.056	2	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[5a]C[5])(C[5]C[5]O){1|H<1>,1|S<2>,2|C<3>}	117.8860	0.000	1	117.8860	0.000	1	117.6937	0.994	9	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5]){1|Re<6>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S[5](C[5]C[5a]C[5])(C[5]C[5]N[5]){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|S<2>}	117.2595	1.815	2	117.9973	3.281	3	117.6937	0.994	9	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]N[5])	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5]){1|Ru<6>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S[5](C[5]C[5a]C[5])(C[5]C[5]N[5]){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,2|S<2>}	119.4730	0.000	1	117.9973	3.281	3	117.6937	0.994	9	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5])	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5]){1|C<3>,1|H<1>,3|S<2>}	116.8060	0.000	1	117.2750	0.166	3	117.6937	0.994	9	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5])	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5]){1|C<3>,1|H<1>,3|S<2>}	117.5095	0.040	2	117.2750	0.166	3	117.6937	0.994	9	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]S[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5])	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5]){1|C<3>,1|H<1>,3|S<2>}	117.7700	0.460	2	117.7700	0.211	2	117.6937	0.994	9	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]2)(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5])	C[5](C[5a]N[5a]2)(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5]){1|H<1>,1|N<2>,1|N<3>,2|S<2>}	114.3120	0.000	1	115.3890	1.823	8	115.3890	1.823	8	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]2)(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5])	C[5](C[5a]N[5a]2)(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5]){1|H<1>,1|N<2>,1|N<3>,2|S<2>}	115.5429	1.381	7	115.3890	1.823	8	115.3890	1.823	8	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:N[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(N[5]C[5,6a]Al)(S[5]C[5,6a])	C[5a](C[5]N[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[5,6a]Al)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[5a](C[5]N[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]){1|Al<4>,1|H<1>,1|S<2>,3|C<3>}	119.6350	0.000	1	119.6350	0.000	1	126.2420	32.763	3	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:N[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(N[5]C[5,6a]Ir)(S[5]C[5,6a])	C[5a](C[5]N[5]S[5])(C[5a]C[5a]Ir)(S[5a]C[5a])	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[5,6a]Ir)(S[5]C[5,6a]){4|C<3>}	C[5a](C[5]N[5]S[5])(C[5a]C[5a]Ir)(S[5a]C[5a]){1|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]){1|Ir<6>,1|H<1>,1|S<2>,3|C<3>}	129.5455	0.217	2	129.5455	0.047	2	126.2420	32.763	3	118.0541	18.177	20	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:2:	3:4:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])(C[5]C[5]CuH)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5]){1|Cu<3>,2|C<3>,3|H<1>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	S[5](C[5]C[5a]C[5])(C[5]C[5]CuH){1|C<3>,1|S<2>,2|H<1>}	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	120.7040	0.000	1	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5])	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	S[5](C[5]C[5a]C[5])(C[5]C[5]S[5]){1|C<3>,1|H<1>,1|N<3>,2|S<2>}	112.9390	1.126	2	112.9390	1.267	2	112.9390	1.267	2	122.3579	39.186	8	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:S[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N){1|H<1>,1|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|O<1>,4|C<3>}	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	122.3579	39.186	8	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:N[5]-3:S[5]-2:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a,5a]C[5a])(N[5]C[5]B)(S[5]C[5])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5])	S[5](C[5]C[5a]N[5])(C[5]C[5]H)	C[5](C[5a]C[5a,5a]C[5a])(N[5]C[5]B)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5]){1|B<4>,8|C<3>}	S[5](C[5]C[5a]N[5])(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>}	122.1160	0.000	1	122.1160	0.000	1	122.1160	0.000	1	122.3579	39.186	8	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:N[5]-3:S[5]-2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Cu)(S[5]C[5,6a])	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Cu)(S[5]C[5,6a]){5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu){6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	127.7743	0.330	3	127.7743	0.109	3	127.0955	1.916	4	122.3579	39.186	8	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:N[5]-3:S[5]-2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)(S[5]C[5,6a])	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)(S[5]C[5,6a]){1|Cu<4>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu){1|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]){1|N<3>,2|H<1>,3|C<3>}	125.0590	0.000	1	125.0590	0.000	1	127.0955	1.916	4	122.3579	39.186	8	121.8720	6.928	217	121.9307	7.648	218
818	727	891	0:SP2_SP2_SP2	C[5]	C[5a]	S[5]	3:4:2:	3:3:3:	3:3:	C[5a]-3:C[5]-4:S[5]-2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(S[5]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H)	S[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(S[5]C[5]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	S[5](C[5]C[5a]C[5])(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	121.8720	6.928	217	121.9307	7.648	218
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,5a]	S[5]	3:2:1:	3:3:3:	4:3:	C[5,5a]-3:S[5]-2:S-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	P[5]-4:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(S[5]P[5])(S)	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S)	S[5](P[5]N[5,5a]C[6a]S)(C[5]C[5,5a]S)	C[5](C[5,5a]N[5,5a]C[5a])(S[5]P[5])(S){1|C<4>,1|S<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S){1|C<3>,1|S<1>,2|C<4>}	S[5](P[5]N[5,5a]C[6a]S)(C[5]C[5,5a]S){4|C<3>}	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	111.0580	19.971	3	111.0646	5.169	13
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,5a]	S[5]	3:2:2:	3:2:3:	4:3:	C[5,5a]-3:S[5]-2:N-2:	N[5,5a]-3:N[5a]-2:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(NC)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N)	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]N)	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(NC){1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N){1|H<1>,1|N<2>,2|C<3>}	S[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]N){1|N<2>,3|C<3>}	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	111.0580	19.971	3	111.0646	5.169	13
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,5a]	S[5]	3:2:2:	3:3:3:	3:2:	C[5,5a]-3:S[5]-2:S-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5,5a]C[5,5a]C[5a])(S[5]S[5])(SW)	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S)	S[5](C[5]C[5,5a]S)(S[5]C[5,5a])	C[5](C[5,5a]C[5,5a]C[5a])(S[5]S[5])(SW){1|C<3>,1|C<4>,1|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5a]C[5a]C)(C[5]S[5]S){1|H<1>}	S[5](C[5]C[5,5a]S)(S[5]C[5,5a]){1|C<3>,1|S<2>}	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	111.0580	19.971	3	111.0646	5.169	13
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,6a]	S[5]	3:2:1:	3:3:3:	3:2:	C[5,6a]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(S)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S)	S[5](C[5]C[5,6a]S)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(S){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,2|H<1>}	S[5](C[5]C[5,6a]S)(S[5]C[5,6a]){2|C<3>}	113.3010	0.328	2	113.3010	0.108	2	113.3010	0.108	2	113.3010	0.108	2	111.0666	2.453	10	111.0646	5.169	13
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,6a]	S[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:S[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O){2|H<1>,3|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	109.1835	0.770	2	109.1835	0.593	2	109.1835	0.593	2	109.4825	0.350	4	111.0666	2.453	10	111.0646	5.169	13
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,6a]	S[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(S)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(S){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]S){6|C<3>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	109.4825	0.350	4	111.0666	2.453	10	111.0646	5.169	13
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,6a]	S[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S)	S[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(S){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	S[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]S){6|C<3>}	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.4825	0.350	4	111.0666	2.453	10	111.0646	5.169	13
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,6a]	S[5]	3:2:2:	3:3:3:	3:2:	C[5,6a]-3:S[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(NC[6a])	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N)	S[5](C[5]C[5,6a]N)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(NC[6a]){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N){3|C<3>}	S[5](C[5]C[5,6a]N)(S[5]C[5,6a]){1|C<3>,1|N<3>}	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.0666	2.453	10	111.0646	5.169	13
818	727	891	5:SP2_SP2_SP2	C[5]	C[5,6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:S[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N)	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N){2|H<1>,3|C<3>}	S[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]N){6|C<3>}	111.5087	0.100	3	111.5087	0.010	3	111.5087	0.010	3	111.5087	0.010	3	111.0666	2.453	10	111.0646	5.169	13
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	116.5747	0.389	3	116.5747	0.151	3	116.5747	0.151	3	116.6128	0.124	5	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5])	116.6700	0.426	2	116.6700	0.181	2	116.6700	0.181	2	116.6128	0.124	5	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]N[5])(CCHH)	117.6170	0.000	1	117.6170	0.000	1	117.5081	1.127	9	117.4065	0.953	11	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){3|C<3>}	O(C[5]C[5,6a]N[5])(CH3)	119.7480	0.000	1	119.7480	0.000	1	117.5081	1.127	9	117.4065	0.953	11	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])(CCCH)	117.3360	0.366	2	117.3360	0.134	2	117.5081	1.127	9	117.4065	0.953	11	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])(CCHH)	116.9860	0.948	4	116.9860	0.898	4	117.5081	1.127	9	117.4065	0.953	11	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])(CC[6a]CH)	117.5920	0.000	1	117.5920	0.000	1	117.5081	1.127	9	117.4065	0.953	11	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	116.9495	0.090	2	116.9495	0.008	2	116.9495	0.008	2	117.4065	0.953	11	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])(H)	117.4420	0.000	1	117.4420	0.000	1	122.5919	34.651	7	122.5919	34.651	7	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5,6a]C[5])(H)	117.3725	0.428	2	119.0547	8.581	3	122.5919	34.651	7	122.5919	34.651	7	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])(H)	122.4190	0.000	1	119.0547	8.581	3	122.5919	34.651	7	122.5919	34.651	7	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])(H)	123.8900	0.000	1	123.8900	0.000	1	122.5919	34.651	7	122.5919	34.651	7	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])(H)	126.6290	0.000	1	126.6290	0.000	1	122.5919	34.651	7	122.5919	34.651	7	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[5]C[5,6a]C[5])(H)	133.0180	0.000	1	133.0180	0.000	1	122.5919	34.651	7	122.5919	34.651	7	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<2>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	122.1420	0.000	1	122.1420	0.000	1	117.6190	40.915	2	117.6190	40.915	2	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a])	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	113.0960	0.000	1	113.0960	0.000	1	117.6190	40.915	2	117.6190	40.915	2	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(BC[6a]3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5])(BC[6a]3)	133.6040	0.683	2	133.6040	0.467	2	133.6040	0.467	2	123.6496	70.294	8	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Ga[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(Ga[5]N[5]2O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	O(C[5]C[5,6a]C[5])(Ga[5]N[5]2O)	121.0220	0.000	1	121.0220	0.000	1	121.0220	0.000	1	123.6496	70.294	8	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(BF3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5])(BF3)	128.4295	0.530	2	128.4295	0.281	2	128.4295	0.281	2	123.6496	70.294	8	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5,6a]C[5])(CCHH)	115.2120	0.000	1	114.8230	0.303	2	114.7027	0.195	3	123.6496	70.294	8	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<1>}	O(C[5]C[5,6a]C[5])(CCHH)	114.4340	0.000	1	114.8230	0.303	2	114.7027	0.195	3	123.6496	70.294	8	119.9125	32.716	33	119.9125	32.716	33
818	727	893	0:SP2_SP2_SP2	C[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	O(C[5]C[5,6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5])(CH3)	114.4620	0.000	1	114.4620	0.000	1	114.7027	0.195	3	123.6496	70.294	8	119.9125	32.716	33	119.9125	32.716	33
818	727	901	0:SP2_SP1_SP2	C[5]	C[5,6a]	N	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:N-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(N)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N)	N(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(N){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]O[5])	126.6240	0.000	2	126.6240	0.000	2	126.6240	0.000	2	126.6240	0.000	2	128.0368	9.820	5	128.0368	9.820	5
818	727	901	0:SP2_SP1_SP2	C[5]	C[5,6a]	N	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:N-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(N){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5,6a]2)	126.8305	2.222	2	126.8305	4.939	2	126.8305	4.939	2	128.9787	16.313	3	128.0368	9.820	5	128.0368	9.820	5
818	727	901	0:SP2_SP1_SP2	C[5]	C[5,6a]	N	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:N-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(N){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]N[5])	133.2750	0.000	1	133.2750	0.000	1	133.2750	0.000	1	128.9787	16.313	3	128.0368	9.820	5	128.0368	9.820	5
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,5a]	S	3:3:2:	3:3:3:	3:3:	C[5,5a]-3:C[5,6a]-3:S-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S)	S(C[5]C[5,5a]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a]){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S){1|H<1>,1|S<2>,4|C<3>}	S(C[5]C[5,5a]C[5,6a])(C[6a]C[6a]2)	126.7570	0.000	1	126.7570	0.000	1	126.7570	0.000	1	126.7570	0.000	1	126.7570	0.000	1	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S)	S(C[5]C[5,6a]N[5])(C[5a]N[5a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,2|H<1>,2|O<1>}	S(C[5]C[5,6a]N[5])(C[5a]N[5a]2)	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(SC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	S(C[5]C[5,6a]N[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(SC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	S(C[5]C[5,6a]N[5])(CCHH)	122.0495	0.616	2	122.0495	0.379	2	122.0495	0.379	2	122.0495	0.379	2	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:3:2:	3:3:3:	3:3:	C[5,5a]-3:C[5,6a]-3:S-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]S)(C[6a]C[6a]H)	S(C[5]C[5,5a]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a]){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S(C[5]C[5,5a]C[5,6a])(C[6a]C[6a]2)	125.6350	0.000	1	125.6350	0.000	1	125.6350	0.000	1	126.3633	3.116	4	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(CNN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,3|H<1>}	S(C[5]C[5,6a]C[5])(CNN)	125.8040	0.000	1	125.8040	0.000	1	125.8040	0.000	1	126.3633	3.116	4	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,5|H<1>}	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	125.0480	0.000	1	125.0480	0.000	1	127.0070	7.675	2	126.3633	3.116	4	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SC[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	128.9660	0.000	1	128.9660	0.000	1	127.0070	7.675	2	126.3633	3.116	4	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[4,5]-3:S-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(SC)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H)	S(C[5]C[5,6a]C[4,5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(SC){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[4,5])(CCHH)	123.5580	0.000	1	123.5580	0.000	1	123.5580	0.000	1	119.2395	12.989	4	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5])(CH3)	115.0910	0.000	1	115.0910	0.000	1	116.5010	3.976	2	119.2395	12.989	4	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SC)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S){1|Se<2>,1|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5])(CH3)	117.9110	0.000	1	117.9110	0.000	1	116.5010	3.976	2	119.2395	12.989	4	122.3655	16.006	11	122.7315	16.158	12
818	727	909	0:SP2_SP2_SP2	C[5]	C[5,6a]	S	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:S-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC){1|O<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S){1|O<1>,2|H<1>,4|C<3>}	S(C[5]C[5,6a]C[5])(CH3)	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	119.2395	12.989	4	122.3655	16.006	11	122.7315	16.158	12
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[6]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]){1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<2>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	126.2280	0.000	1	126.2280	0.000	1	126.2280	0.000	1	126.2280	0.000	1	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6]){1|H<1>,1|O<1>,2|C<3>,2|F<1>,2|N<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5]){1|B<4>,1|H<1>,5|C<3>}	125.4570	0.000	1	125.4570	0.000	1	124.1803	1.315	3	124.8914	0.634	13	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]N[5,6])2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]N[5,6])2{1|B<4>,6|C<3>}	123.5420	0.431	2	123.5420	0.186	2	124.1803	1.315	3	124.8914	0.634	13	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	124.8570	0.786	2	124.8570	0.618	2	125.1076	0.375	9	124.8914	0.634	13	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	125.4980	0.000	1	125.1791	0.370	7	125.1076	0.375	9	124.8914	0.634	13	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	125.8950	0.076	2	125.1791	0.370	7	125.1076	0.375	9	124.8914	0.634	13	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	124.8650	0.264	3	125.1791	0.370	7	125.1076	0.375	9	124.8914	0.634	13	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	124.3710	0.000	1	125.1791	0.370	7	125.1076	0.375	9	124.8914	0.634	13	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a]){2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	125.0790	0.000	1	125.0790	0.000	1	125.0790	0.000	1	124.8914	0.634	13	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:S[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(S[6]C[6,6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6]){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(S[6]C[6,6a]OO){5|C<3>}	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	124.8557	0.749	16	124.8557	0.749	16
818	727	914	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	N[6]	4:3:2:	3:3:3:	3:4:	C[5,6]-4:C[5,6a]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	124.0900	0.000	1	124.0900	0.000	1	124.0900	0.000	1	124.0900	0.000	1	124.8557	0.749	16	124.8557	0.749	16
818	727	914	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	N[6]	3:2:3:	3:3:3:	3:3:	C[5,6,6a]-3:N[6]-2:C[5]-3:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br)	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	N[6](C[5,6]C[5,6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br){5|C<3>}	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	N[6](C[5,6]C[5,6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	124.6960	0.000	1	124.6960	0.000	1	124.6960	0.000	1	124.6960	0.000	1	124.6960	0.000	1	124.6960	0.000	1
818	727	921	0:SP2_SP2_SP3	C[5]	C[5,6a]	Se	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:Se-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SeC)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se)	Se(C[5]C[5,6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SeC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se){1|Se<2>,1|C<3>,2|H<1>}	Se(C[5]C[5,6a]C[5])(CH3)	118.9990	0.184	2	118.9990	0.034	2	118.9990	0.034	2	118.9990	0.034	2	118.9990	0.034	2	118.9990	0.034	2
818	727	924	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:Br-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H)	Br(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	Br(C[5]C[5,6a]C[5,6])	122.4910	0.000	1	122.4910	0.000	1	122.4910	0.000	1	121.4254	1.883	5	121.4254	1.883	5	121.4254	1.883	5
818	727	924	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:Br-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br)	Br(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	Br(C[5]C[5,6a]C[5])	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	121.4254	1.883	5	121.4254	1.883	5	121.4254	1.883	5
818	727	924	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	Br(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[5]C[5,6a]C[5])	121.8670	0.000	1	121.8670	0.000	1	120.6037	1.205	3	121.4254	1.883	5	121.4254	1.883	5	121.4254	1.883	5
818	727	924	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	Br(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br){1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|Br<1>,2|C<3>,3|H<1>}	Br(C[5]C[5,6a]C[5])	120.0640	0.000	1	120.0640	0.000	1	120.6037	1.205	3	121.4254	1.883	5	121.4254	1.883	5	121.4254	1.883	5
818	727	924	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br)	Br(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	Br(C[5]C[5,6a]C[5])	119.8800	0.000	1	119.8800	0.000	1	120.6037	1.205	3	121.4254	1.883	5	121.4254	1.883	5	121.4254	1.883	5
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:2:3:	3:2:1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(OC)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO){3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5a]C[5])(OC)(O)	125.2030	0.000	1	125.4080	0.084	2	125.4080	0.084	2	125.4080	0.084	2	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:2:3:	3:2:1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(OC)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO){3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C){1|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5])(OC)(O)	125.6130	0.000	1	125.4080	0.084	2	125.4080	0.084	2	125.4080	0.084	2	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:2:3:	3:2:2:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(CCC)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(CN)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(CCC){1|C<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,5a]C[5])(CN)2	132.1430	0.000	1	132.1430	0.000	1	132.1430	0.000	1	132.1430	0.000	1	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH){3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C){4|C<3>}	C(C[5]C[5,5a]C[5])(CCH)(H)	127.4680	0.000	1	127.4680	0.000	1	127.4680	0.000	1	129.6940	9.910	2	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:N[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C)	C(C[5]C[5,5a]N[5])(COO)(H)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH){1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]N[5])(COO)(H)	131.9200	0.000	1	131.9200	0.000	1	131.9200	0.000	1	129.6940	9.910	2	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:2:	3:2:2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:C-2:C-2:	C[5](C[5,5a]C[5,5a]S[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a])	C(C[5]C[5,5a]2)(CN)2	C[5](C[5,5a]C[5,5a]S[5a])2(CCC){4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C(C[5]C[5,5a]2)(CN)2	128.1490	0.185	2	128.1490	0.034	2	128.1490	0.034	2	127.8950	0.211	3	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:2:	3:2:2:	C[5,5a]-3:C[5,6a]-3:C-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:C-2:C-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a])	C(C[5]C[5,5a]C[5,6a])(CN)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5,6a])(CN)2	127.3870	0.000	1	127.3870	0.000	1	127.3870	0.000	1	127.8950	0.211	3	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:2:	3:4:1:	C[5,5a]-3:C[5,6a]-3:C-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:S-4:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a])	C(C[5]C[5,5a]C[5,6a])(SCOO)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a]){2|C<3>,2|H<1>}	C(C[5]C[5,5a]C[5,6a])(SCOO)(H)	132.8150	0.000	1	132.8150	0.000	1	132.8150	0.000	1	132.8150	0.000	1	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,5a]-3:N[5]-3:C-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(CHH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C)	C(C[5]C[5,5a]N[5])(H)2	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C){1|O<1>,3|C<3>}	C(C[5]C[5,5a]N[5])(H)2	128.6760	0.000	1	128.6760	0.000	1	128.6760	0.000	1	128.6760	0.000	1	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,5a]-3:C[5]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(OC)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5a]C[5])(OC)(O)	125.0090	0.000	1	125.0090	0.000	1	125.0090	0.000	1	125.0090	0.000	1	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H)	C(C[5]C[5,5a]2)(CN)2	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H){3|C<3>}	C(C[5]C[5,5a]2)(CN)2	127.7365	1.255	2	127.7365	1.575	2	127.1086	1.311	16	127.1086	1.311	16	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C(C[5]C[5,5a]2)(CN)2	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C(C[5]C[5,5a]2)(CN)2	126.8935	0.401	4	127.0189	1.322	14	127.1086	1.311	16	127.1086	1.311	16	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C(C[5]C[5,5a]2)(CN)2	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,2|S<2>}	C(C[5]C[5,5a]2)(CN)2	125.8300	2.630	2	127.0189	1.322	14	127.1086	1.311	16	127.1086	1.311	16	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C(C[5]C[5,5a]2)(CN)2	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C(C[5]C[5,5a]2)(CN)2	127.3787	0.915	8	127.0189	1.322	14	127.1086	1.311	16	127.1086	1.311	16	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C(C[5]C[5,5a]2)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C(C[5]C[5,5a]2)(C[6a]C[6a]2)(H)	127.9045	4.068	2	127.9045	16.549	2	127.9045	16.549	2	126.5732	4.590	6	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){1|C<4>,2|C<3>}	C(C[5]C[5,5a]C[5])(CCH)(H)	125.9450	0.000	1	125.5270	0.349	2	125.5270	0.349	2	126.5732	4.590	6	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){3|C<3>}	C(C[5]C[5,5a]C[5])(CCH)(H)	125.1090	0.000	1	125.5270	0.349	2	125.5270	0.349	2	126.5732	4.590	6	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C){2|C<3>,2|O<1>}	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	126.0070	0.000	1	126.0070	0.000	1	126.0070	0.000	1	126.5732	4.590	6	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH){1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C(C[5]C[5,5a]C[5])(CCH)(H)	126.5690	0.000	1	126.5690	0.000	1	126.5690	0.000	1	126.5732	4.590	6	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-4:H-1:	C[5](C[5,5a]C[5,5a]C[5a])2(CCH)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C(C[5]C[5,5a]2)(CCHH)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCH){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C(C[5]C[5,5a]2)(CCHH)(H)	127.8985	0.909	4	127.8985	0.827	4	127.8985	0.827	4	127.8985	0.827	4	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-4:C-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C){5|H<1>}	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	124.4750	0.000	1	124.4750	0.000	1	124.4750	0.000	1	124.4750	0.000	1	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,5a]	C	3:4:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-4:C-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]2)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]2){1|C<4>,2|H<1>,2|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C){4|H<1>}	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)2	128.2690	0.000	1	128.2690	0.000	1	128.2690	0.000	1	128.2690	0.000	1	127.4371	3.937	39	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:2:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H){1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	125.6760	0.000	1	125.6760	0.000	1	125.6760	0.000	1	127.0765	3.923	2	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:2:3:	3:3:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	128.4770	0.000	1	128.4770	0.000	1	128.4770	0.000	1	127.0765	3.923	2	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:2:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5])(OC)(O)	124.5785	0.404	2	124.5785	0.163	2	124.5785	0.163	2	127.2063	20.798	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:2:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(OS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]O[5])(OS)(H)	132.4620	0.000	1	132.4620	0.000	1	132.4620	0.000	1	127.2063	20.798	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:2:2:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CN)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(CN)2	126.4060	0.000	1	126.4060	0.000	1	126.4060	0.000	1	126.4060	0.000	1	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5])(CCH)(H)	122.0720	0.000	1	122.0720	0.000	1	122.0720	0.000	1	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CC[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5])(CC[6a]2)(I)	120.2420	0.000	1	120.2420	0.000	1	120.2420	0.000	1	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<2>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	123.5510	0.024	2	124.5420	0.886	5	124.3900	0.847	6	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	125.2027	0.367	3	124.5420	0.886	5	124.3900	0.847	6	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	123.6300	0.000	1	123.6300	0.000	1	124.3900	0.847	6	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	121.8970	0.000	1	121.8970	0.000	1	121.8970	0.000	1	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(NCC)(H)	124.4935	0.094	2	124.4935	0.009	2	124.4935	0.009	2	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(H)	123.1570	1.198	3	123.1570	1.434	3	123.1570	1.434	3	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(CC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]O[5])(CC[5]H)(H)	131.4770	0.000	1	131.4770	0.000	1	131.4913	24.261	3	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]O[5])(COO)(H)	136.4240	0.000	1	131.4985	48.521	2	131.4913	24.261	3	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,4|H<1>}	C(C[5]C[5,6a]O[5])(COO)(H)	126.5730	0.000	1	131.4985	48.521	2	131.4913	24.261	3	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<4>,1|N<3>,2|O<1>}	C(C[5]C[5,6a]O[5])(C[5a]C[5a]S[5a])(H)	129.1130	0.000	1	129.1130	0.000	1	129.1130	0.000	1	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	128.2300	0.146	2	128.2300	0.021	2	128.8897	0.620	4	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	129.5495	0.313	2	129.5495	0.098	2	128.8897	0.620	4	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(I)	130.5990	0.000	1	130.5990	0.000	1	130.5990	0.000	1	126.0328	14.634	23	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	128.3090	0.000	1	128.3090	0.000	1	128.3090	0.000	1	127.9320	0.672	5	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(CN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(CN)	128.4370	1.010	2	128.4370	1.020	2	128.4370	1.020	2	127.9320	0.672	5	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	127.4030	0.000	1	127.2385	0.054	2	127.2385	0.054	2	127.9320	0.672	5	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	127.0740	0.000	1	127.2385	0.054	2	127.2385	0.054	2	127.9320	0.672	5	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CC[5]N)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5]C[5,6a]N[5])(CC[5]N)(NCC)	128.6200	0.000	1	128.6200	0.000	1	128.6200	0.000	1	130.9120	3.068	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(CCO)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]O[5])(CCO)2	131.8660	0.000	1	131.8660	0.000	1	131.2055	0.873	2	130.9120	3.068	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(COO)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]O[5])(COO)2	130.5450	0.000	1	130.5450	0.000	1	131.2055	0.873	2	130.9120	3.068	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]2){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)2	132.6170	0.000	1	132.6170	0.000	1	132.6170	0.000	1	130.9120	3.068	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(CF3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(CF3)	127.2940	0.000	1	127.2940	0.000	1	127.2940	0.000	1	132.0057	16.651	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:4:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(CCHH)	134.3615	0.037	2	134.3615	0.001	2	134.3615	0.001	2	132.0057	16.651	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5])(CH3)(H)	131.9180	0.000	1	131.9180	0.000	1	131.9180	0.000	1	133.1190	12.449	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(CC3)(I)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]O[5])(CC3)(I)	137.0910	0.000	1	137.0910	0.000	1	137.0910	0.000	1	133.1190	12.449	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	C(C[5]C[5,6a]O[5])(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,6a]O[5])(SiC3)(H)	130.3480	0.000	1	130.3480	0.000	1	130.3480	0.000	1	133.1190	12.449	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	124.1930	0.000	1	124.1930	0.000	1	124.1930	0.000	1	129.2363	12.815	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	129.3360	0.000	1	129.3360	0.000	1	129.3360	0.000	1	129.2363	12.815	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C){1|H<1>,5|C<3>}	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	131.7080	0.884	2	131.7080	0.781	2	131.7080	0.781	2	129.2363	12.815	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	125.0580	0.000	1	125.7327	0.786	3	126.7062	5.622	5	126.7062	5.622	5	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	126.0700	0.943	2	125.7327	0.786	3	126.7062	5.622	5	126.7062	5.622	5	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	128.1665	3.716	2	128.1665	13.808	2	126.7062	5.622	5	126.7062	5.622	5	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]N[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]N[6a])2(CC[6a]2){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	128.1015	1.365	2	128.1015	1.864	2	128.1015	1.864	2	128.1015	1.864	2	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHH){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	C(C[5]C[5,6a]2)(H)2	124.8490	0.000	1	124.8490	0.000	1	126.3350	9.552	3	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHH)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C(C[5]C[5,6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHH){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2)(H)2	129.8880	0.000	1	129.8880	0.000	1	126.3350	9.552	3	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	C(C[5]C[5,6a]2)(H)2	124.2680	0.000	1	124.2680	0.000	1	126.3350	9.552	3	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C){1|H<1>,5|C<3>}	C(C[5]C[5,6a]2)(H)2	130.8240	0.000	1	130.8240	0.000	1	130.8240	0.000	1	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(H)2	129.2960	0.141	2	129.2960	0.020	2	129.2960	0.020	2	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(H)(O)	127.2230	0.648	2	127.2230	0.420	2	127.2230	0.420	2	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Cl-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(C[5]C[5,6a]N[5])(Cl)(H)	121.3950	0.000	1	121.3950	0.000	1	121.3950	0.000	1	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CHH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CHH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C){1|O<1>,3|C<3>}	C(C[5]C[5,6a]N[5])(H)2	131.2680	0.000	1	131.2680	0.000	1	126.9935	36.543	2	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(H)2	122.7190	0.000	1	122.7190	0.000	1	126.9935	36.543	2	127.1135	11.395	11	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|N<2>,4|C<3>}	C(C[5]C[5,6a]C[5])(OC)(O)	128.7010	0.000	1	128.7010	0.000	1	123.8915	46.263	2	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(OC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(OC)(O)	119.0820	0.000	1	119.0820	0.000	1	123.8915	46.263	2	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(SeC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(SeC)(H)	133.5730	0.000	1	133.5730	0.000	1	133.5730	0.000	1	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(SeC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,3|H<1>}	C(C[5]C[5,6a]C[5])(SeC)(O)	125.9760	0.000	1	125.9760	0.000	1	125.9760	0.000	1	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(COO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(OC)(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(COO){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(OC)(O)	132.3160	0.000	1	132.3160	0.000	1	132.3160	0.000	1	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(NC[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]N[5])(NC[6a])(O)	128.9010	0.000	1	128.9010	0.000	1	128.9010	0.000	1	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(ORe)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(COO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	C(C[5]C[5,6a]N[5])(ORe)(O)	135.8347	0.378	6	135.8347	0.143	6	134.4104	7.833	8	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(OZn)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(COO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,3|H<1>}	C(C[5]C[5,6a]N[5])(OZn)(O)	131.7850	0.000	1	131.7850	0.000	1	134.4104	7.833	8	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Zn)(COO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(OZn)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Zn)(COO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(OZn)(O)	128.4900	0.000	1	128.4900	0.000	1	134.4104	7.833	8	131.7023	25.099	14	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,5a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C(C[5]C[5,5a]C[5,6a])(CN)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C(C[5]C[5,5a]C[5,6a])(CN)2	127.4920	0.000	1	127.4920	0.000	1	127.4920	0.000	1	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C(C[5]C[5,6a]2)(CN)2	129.7500	0.764	3	128.6701	1.418	7	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C(C[5]C[5,6a]2)(CN)2	127.8602	0.638	4	128.6701	1.418	7	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CC)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CC)2	127.0889	0.325	10	127.0889	0.105	10	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CN)2	125.5590	0.000	1	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]2)(CN)2	122.8130	0.000	1	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CN)2	124.0284	0.856	7	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CN)2	127.1450	0.793	4	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]2)(CN)2	126.6400	0.392	2	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	C(C[5]C[5,6a]2)(CN)2	126.4940	0.812	2	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C(C[5]C[5,6a]2)(CN)2	127.0990	0.085	2	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CN)2	127.0780	0.427	2	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	C(C[5]C[5,6a]2)(CN)2	126.9855	0.306	6	125.9884	2.401	27	126.6651	2.655	44	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-2:S-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CSS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SAu)2	C[5](C[5,6a]C[5,6a]C[6a])2(CSS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(SAu)2	127.0395	1.087	2	127.0395	1.181	2	127.0276	0.597	10	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-2:S-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CSS)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SCu)2	C[5](C[5,6a]C[5,6a]C[6a])2(CSS){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]2)(SCu)2	127.1315	0.299	2	127.1315	0.089	2	127.0276	0.597	10	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-2:S-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CSS)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SNi)2	C[5](C[5,6a]C[5,6a]C[6a])2(CSS){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]2)(SNi)2	126.9978	1.124	4	126.9978	1.263	4	127.0276	0.597	10	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-2:S-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CSS)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SPd)2	C[5](C[5,6a]C[5,6a]C[6a])2(CSS){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]2)(SPd)2	126.9715	0.528	2	126.9715	0.279	2	127.0276	0.597	10	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CN)2	126.2485	0.457	4	126.2485	0.209	4	126.8053	3.801	6	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]C){1|C<4>,4|C<3>}	C(C[5]C[5,6a]2)(CN)2	125.2120	0.000	1	125.2120	0.000	1	126.8053	3.801	6	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C){6|C<3>}	C(C[5]C[5,6a]2)(CN)2	130.6260	0.000	1	130.6260	0.000	1	126.8053	3.801	6	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CN)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CN)2	124.7898	0.766	18	125.2799	1.745	22	126.6623	8.420	32	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CN)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CN)2	127.4852	0.981	4	125.2799	1.745	22	126.6623	8.420	32	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CN)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,6a]C[5])(CN)2	130.8820	0.379	2	130.8820	0.144	2	126.6623	8.420	32	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CN)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,6a]C[5])(CN)2	131.3450	0.000	1	131.3450	0.000	1	126.6623	8.420	32	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CN)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CN)2	131.2870	0.417	5	131.2870	0.174	5	126.6623	8.420	32	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CN)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]C[5])(CN)2	123.7460	0.144	2	123.7460	0.021	2	126.6623	8.420	32	126.7211	4.363	93	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:4:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SC[6a])(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])2(CCS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(SC[6a])(CCCH)	127.4395	0.125	2	127.4395	0.016	2	127.4395	0.016	2	127.4395	0.016	2	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CC[6a]O)(H)	127.3360	7.179	2	127.3360	51.532	2	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2)(CIrO)(H)	128.0500	0.000	1	127.4107	32.785	3	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CIrO)(H)	127.0910	8.060	2	127.4107	32.785	3	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]2)(COO)(H)	132.0560	0.000	1	127.2620	45.965	2	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(COO)(H)	122.4680	0.000	1	127.2620	45.965	2	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2)(CIrO)(H)	123.7530	0.000	1	123.7530	0.000	1	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CIrO)(H)	125.0390	0.000	1	125.0390	0.000	1	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CIrO)(H)	125.8780	0.000	1	125.8780	0.000	1	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|Ir<8>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CIrO)(H)	123.6210	0.000	1	123.6210	0.000	1	126.3381	18.618	11	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	120.7835	0.344	2	126.8940	15.505	31	127.2064	16.523	34	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	127.0315	3.408	2	126.8940	15.505	31	127.2064	16.523	34	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	131.1160	0.000	1	126.8940	15.505	31	127.2064	16.523	34	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	123.8910	0.000	1	126.8940	15.505	31	127.2064	16.523	34	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	127.3231	3.804	25	126.8940	15.505	31	127.2064	16.523	34	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	133.1940	0.348	2	133.1940	0.121	2	127.2064	16.523	34	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	124.9160	0.000	1	124.9160	0.000	1	127.2064	16.523	34	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(NHS)(H)	126.9335	7.437	2	126.9335	55.304	2	126.9335	55.304	2	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a]O[5a])(C[5]C[5,6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(C[5]C[5,6a]2)(H)	127.5660	7.733	2	127.5660	59.798	2	128.5163	52.313	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a]S[5a])(C[5]C[5,6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(C[5]C[5,6a]2)(H)	129.4665	9.671	2	129.4665	93.530	2	128.5163	52.313	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|Ir<8>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	C(C[5]C[5,6a]2)(CIrO)(H)	129.2680	0.000	1	129.2680	0.000	1	129.2680	0.000	1	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH){4|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]C){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(H)	127.3690	0.057	2	127.3690	0.003	2	127.3690	0.003	2	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.5840	0.857	2	124.5840	0.734	2	124.5840	0.734	2	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(H)	125.8690	0.064	2	125.8690	0.004	2	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(H)	127.6265	0.101	2	127.6265	0.010	2	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	130.0590	0.000	1	130.0590	0.000	1	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(COO)(H)	132.9240	0.000	1	128.4433	28.802	4	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(COO)(H)	126.9497	5.461	3	128.4433	28.802	4	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	131.6920	0.000	1	131.6920	0.000	1	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	132.3260	0.000	1	132.3260	0.000	1	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(CCH)(H)	128.3545	0.480	2	128.3545	0.231	2	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]C[5])(CCO)(H)	138.3740	0.000	1	138.3740	0.000	1	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[5]H)(H)	127.1440	0.000	1	127.1440	0.000	1	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	136.4840	0.000	1	137.3085	0.521	11	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	137.3443	0.915	6	137.3085	0.521	11	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	137.3150	0.000	1	137.3085	0.521	11	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	137.5093	0.326	3	137.3085	0.521	11	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CHO)(H)	134.8920	0.000	1	134.8920	0.000	1	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(COO)(H)	136.7922	0.381	5	136.8850	0.168	6	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(COO)(H)	137.3490	0.000	1	136.8850	0.168	6	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(COO)(H)	137.5170	0.000	1	137.5170	0.000	1	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(COO)(H)	137.5630	0.000	1	137.2777	0.081	3	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(COO)(H)	137.1350	0.201	2	137.2777	0.081	3	133.8652	22.179	37	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)	124.8745	0.595	2	124.8745	0.354	2	124.3346	1.051	5	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	123.5440	0.000	1	123.5440	0.000	1	124.3346	1.051	5	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]O[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]O[5])(H)	123.0500	0.000	1	123.0500	0.000	1	124.3346	1.051	5	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	125.3300	0.000	1	125.3300	0.000	1	124.3346	1.051	5	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])2(O)	125.9045	0.301	2	125.9045	0.090	2	125.9045	0.090	2	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	126.0810	0.000	1	126.0810	0.000	1	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	123.9995	1.483	2	123.9995	2.199	2	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	124.1810	0.000	1	124.1810	0.000	1	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	125.5685	0.589	2	125.5685	0.347	2	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	125.3970	0.000	1	125.3970	0.000	1	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	125.1470	0.197	2	125.1470	0.039	2	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	125.6570	0.000	1	126.1093	0.193	3	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	126.3355	0.282	2	126.1093	0.193	3	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	135.8760	0.000	1	135.8760	0.000	1	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	126.2180	0.000	1	126.2180	0.000	1	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	137.1840	0.000	1	137.1840	0.000	1	126.8463	16.317	15	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl){1|B<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	128.6690	0.000	1	128.6690	0.000	1	128.5520	0.027	2	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	128.4350	0.000	1	128.4350	0.000	1	128.5520	0.027	2	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	132.5880	0.000	1	132.5880	0.000	1	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	124.5510	0.288	2	123.9483	1.131	3	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	122.7430	0.000	1	123.9483	1.131	3	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	131.1640	0.000	1	131.1640	0.000	1	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	131.7347	6.772	3	134.5723	7.640	18	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	135.5200	0.000	1	134.5723	7.640	18	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	134.2770	0.467	2	134.5723	7.640	18	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	135.4173	0.777	10	134.5723	7.640	18	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	134.4255	0.310	2	134.5723	7.640	18	132.9521	19.361	23	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	123.7350	0.000	1	123.7350	0.000	1	122.9010	78.643	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.4900	0.000	1	124.4900	0.000	1	122.9010	78.643	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	110.9710	0.000	1	110.9710	0.000	1	122.9010	78.643	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	132.4080	0.000	1	132.4080	0.000	1	122.9010	78.643	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(NCC)(H)	136.3180	0.467	2	136.3180	0.218	2	134.6042	6.028	5	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CHN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(NCC)(H)	134.7275	2.119	2	134.7275	4.491	2	134.6042	6.028	5	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(NCH)(H)	130.9300	0.000	1	130.9300	0.000	1	134.6042	6.028	5	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(H)	126.2565	0.142	2	126.2565	0.020	2	127.1670	1.256	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(H)	128.5420	0.000	1	128.5420	0.000	1	127.1670	1.256	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(H)	127.6130	0.000	1	127.6130	0.000	1	127.1670	1.256	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(CC[6a]O)(H)	133.7370	0.000	1	133.7370	0.000	1	131.6189	11.428	10	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]N[5])(COO)(H)	133.7193	0.487	3	133.7193	0.238	3	131.6189	11.428	10	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(CCO)(H)	127.2100	0.037	2	127.2100	0.001	2	131.6189	11.428	10	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CC[5a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(CC[5a]O)(H)	128.3450	0.000	1	128.3450	0.000	1	131.6189	11.428	10	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CN[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(CN[6]O)(H)	128.3390	0.000	1	128.3390	0.000	1	131.6189	11.428	10	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(COO)(H)	134.8400	0.000	1	134.8400	0.000	1	131.6189	11.428	10	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]N[5])(COO)(H)	135.3500	0.000	1	135.3500	0.000	1	131.6189	11.428	10	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[5]C[5,6]C[5])(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5]Cl){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(C[5]C[5,6]C[5])(Cl)	130.4220	0.445	2	130.4220	0.198	2	130.4220	0.198	2	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(H)	126.3600	0.000	1	126.3600	0.000	1	126.3600	0.000	1	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:Br-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Br)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Br){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Br)	128.5470	0.288	4	128.5470	0.083	4	128.5470	0.083	4	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Cl){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Cl)	129.1175	0.168	2	129.1175	0.028	2	129.1175	0.028	2	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	127.9384	3.415	7	127.9384	11.664	7	126.9131	9.013	20	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	125.2990	0.000	1	125.2990	0.000	1	126.9131	9.013	20	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	125.3228	0.799	5	125.3228	0.638	5	126.9131	9.013	20	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	127.6750	0.000	1	127.6750	0.000	1	126.9131	9.013	20	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	135.0670	0.000	1	135.0670	0.000	1	126.9131	9.013	20	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	125.6076	0.356	5	125.6076	0.126	5	126.9131	9.013	20	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(I)	129.5190	0.000	1	129.5190	0.000	1	129.5190	0.000	1	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	121.8990	0.000	1	121.8990	0.000	1	121.8990	0.000	1	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	126.2730	0.000	1	126.2730	0.000	1	126.2730	0.000	1	129.3595	26.463	195	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(COO)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C){7|C<3>}	C(C[5]C[5,6a]2)(COO)(CN)	128.4240	0.000	1	128.4240	0.000	1	128.4240	0.000	1	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(COO)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(COO)(CN)	125.9230	0.000	1	125.9230	0.000	1	126.1880	0.140	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:C-2:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(COO)(CN)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(COO)(CN)	126.4530	0.000	1	126.4530	0.000	1	126.1880	0.140	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CC)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CC)	127.1500	0.782	2	127.1500	0.612	2	127.1500	0.612	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:C-2:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(COO)(CN)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C){7|C<3>}	C(C[5]C[5,6a]2)(COO)(CN)	127.6110	0.000	1	127.6110	0.000	1	127.6110	0.000	1	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(CC)	130.3070	0.000	1	130.3070	0.000	1	126.3250	37.800	4	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(CN)	132.8310	0.000	1	132.8310	0.000	1	126.3250	37.800	4	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[5]C)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]C[5])(CC[5]C)(CN)	121.0810	0.465	2	121.0810	0.216	2	126.3250	37.800	4	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	128.9330	0.000	1	128.9330	0.000	1	129.7940	1.483	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)	130.6550	0.000	1	130.6550	0.000	1	129.7940	1.483	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	125.5875	0.418	2	125.5875	0.175	2	125.5875	0.175	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OC)	129.7260	0.000	1	129.7260	0.000	1	131.8575	9.087	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OH)	133.9890	0.000	1	133.9890	0.000	1	131.8575	9.087	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	126.4500	0.000	1	126.4500	0.000	1	128.1420	5.726	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	129.8340	0.000	1	129.8340	0.000	1	128.1420	5.726	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:O-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCH)(OC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(OC)	126.5450	0.000	1	126.5450	0.000	1	126.5450	0.000	1	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(NHH)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(NHH)(CN)	127.9940	0.628	2	127.9940	0.394	2	127.9940	0.394	2	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(NC[6]H)(OCo)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(CNO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6a]N[5])(NC[6]H)(OCo)	135.4880	0.000	1	135.4880	0.000	1	135.4880	0.000	1	128.0361	12.220	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	129.6630	0.000	1	129.6630	0.000	1	127.4933	1.305	6	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	127.0594	0.468	5	127.0594	0.219	5	127.4933	1.305	6	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	132.9495	0.513	2	132.9495	0.263	2	132.9495	0.263	2	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	125.5485	0.210	2	125.5485	0.044	2	125.5485	0.044	2	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CCH)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CCH)2	127.1435	0.682	2	127.1435	0.466	2	127.2908	1.767	12	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CC[5]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CC[5]C)(COO)	127.3202	1.450	10	127.3202	2.102	10	127.2908	1.767	12	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[5]N[5]2)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[5]N[5]2)(CCC)	127.1120	0.242	3	127.1120	0.058	3	127.1120	0.058	3	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[5]C[5]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[5]C[5]2)2	127.2375	0.273	4	127.2375	0.075	4	127.2375	0.075	4	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	127.5170	1.732	2	127.5170	3.001	2	127.5170	3.001	2	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	126.9550	0.000	1	127.2974	0.382	23	127.2974	0.382	23	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	127.3130	0.628	22	127.2974	0.382	23	127.2974	0.382	23	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]N){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	126.9755	0.749	2	126.9755	0.561	2	126.9755	0.561	2	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:P-3:P-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CPP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(PC[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(CPP){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(PC[6a]2)2	127.2945	0.944	2	127.2945	0.891	2	127.2945	0.891	2	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]2)2(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)2(C[5]C[5,6a]2)	127.6430	0.649	2	127.6430	0.421	2	127.5067	0.167	4	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	127.3705	0.081	2	127.3705	0.007	2	127.5067	0.167	4	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCO)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CCO)(CHO)	130.3660	0.000	1	130.3660	0.000	1	132.3947	11.015	8	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCO)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(CCO)(COO)	136.4760	0.628	2	136.4760	0.394	2	132.3947	11.015	8	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	129.8995	0.124	2	129.9110	0.051	4	132.3947	11.015	8	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	129.6600	0.000	1	129.9110	0.051	4	132.3947	11.015	8	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	130.1850	0.000	1	129.9110	0.051	4	132.3947	11.015	8	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(COO)2	136.1960	0.000	1	136.1960	0.000	1	132.3947	11.015	8	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(COO)(NCH)	131.4640	0.000	1	131.4640	0.000	1	132.6720	2.919	2	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(COO)(NOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(COO)(NOO)	133.8800	0.000	1	133.8800	0.000	1	132.6720	2.919	2	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	128.4330	0.000	1	128.4330	0.000	1	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	120.0060	0.000	1	120.0060	0.000	1	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	123.8460	0.000	1	123.8460	0.000	1	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	129.2090	0.000	1	129.2090	0.000	1	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	129.7653	0.387	3	129.6602	0.144	4	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	129.3450	0.000	1	129.6602	0.144	4	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCO)	131.3110	1.097	2	131.3110	1.204	2	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]O)	132.8600	0.000	1	132.8600	0.000	1	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	131.6100	0.000	1	133.2793	2.217	3	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	134.1140	0.505	2	133.2793	2.217	3	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)	132.4100	0.000	1	132.4100	0.000	1	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	133.5470	0.000	1	131.7177	2.839	3	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	131.3770	0.000	1	131.7177	2.839	3	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	130.2290	0.000	1	131.7177	2.839	3	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	130.2890	0.000	1	130.2890	0.000	1	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	135.1160	0.775	2	135.1160	0.601	2	130.6447	12.794	21	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|I<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	126.7990	0.000	1	126.6825	0.027	2	127.5540	2.292	3	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	126.5660	0.000	1	126.6825	0.027	2	127.5540	2.292	3	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	129.2970	0.000	1	129.2970	0.000	1	127.5540	2.292	3	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	129.0010	0.337	2	129.0010	0.113	2	129.0993	6.047	9	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	129.5113	0.671	3	129.5113	0.450	3	129.0993	6.047	9	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	125.6040	0.000	1	125.6040	0.000	1	129.0993	6.047	9	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCS)	125.2860	0.000	1	125.2860	0.000	1	129.0993	6.047	9	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHH)	132.2340	0.649	2	132.2340	0.421	2	129.0993	6.047	9	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(CCO)	133.7170	0.000	1	133.7170	0.000	1	133.7170	0.000	1	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	131.2420	0.000	1	131.2420	0.000	1	131.2420	0.000	1	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)2	129.1940	1.316	3	129.1940	1.733	3	129.1940	1.733	3	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(NC[6a]H)(CPdN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCN){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(NC[6a]H)(CPdN)	131.4370	0.000	1	131.4370	0.000	1	131.4370	0.000	1	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]Pt)(CC[5a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]Pt)(CC[5a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]C){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	128.9650	0.000	1	128.9650	0.000	1	128.9650	0.000	1	128.8099	7.790	112	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:P[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(P[6]O[6]2O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(P[6]O[6]2O)	133.2220	0.245	2	133.2220	0.060	2	133.2220	0.060	2	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHH)	127.6745	0.620	2	127.6745	0.385	2	127.5477	0.473	6	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHO)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHO)	127.4843	0.802	4	127.4843	0.644	4	127.5477	0.473	6	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC){1|Si<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(SiC3)	122.0130	0.000	1	122.0130	0.000	1	122.0130	0.000	1	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	128.9330	0.000	1	128.9330	0.000	1	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCO)	133.5210	0.000	1	133.5210	0.000	1	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	124.9850	0.000	1	124.9850	0.000	1	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	130.4360	0.000	1	129.9950	0.323	3	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	129.7745	0.595	2	129.9950	0.323	3	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]CH)	130.1050	0.000	1	130.1050	0.000	1	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]HH)	130.8280	0.813	2	130.8280	0.661	2	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	130.1520	0.000	1	130.1520	0.000	1	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	132.2190	0.000	1	132.2190	0.000	1	130.1415	4.610	11	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[6]C[3,4,4,6]C[6])(C[5]C[5,6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[3,4,4,6]C[6])(C[5]C[5,6a]C[5])(CCHH)	129.3400	0.000	1	129.3400	0.000	1	129.3400	0.000	1	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CC[6a]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CC[6a]Si){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(SiC3)	130.5628	0.450	5	130.5628	0.203	5	130.5628	0.203	5	129.5174	6.646	26	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,5a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C(C[5]C[5,5a]C[5,6a])(SCOO)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C(C[5]C[5,5a]C[5,6a])(SCOO)(H)	122.9770	0.000	1	122.9770	0.000	1	122.9770	0.000	1	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CCHH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CCHH)(H)	127.6500	0.000	1	127.6500	0.000	1	127.6500	0.000	1	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(C[5]C[5]2Fe)(H)	127.4455	5.947	2	127.4455	35.372	2	127.4455	35.372	2	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2)(SCOO)(H)	130.6665	0.100	2	128.9795	26.601	4	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2)(SCOO)(H)	121.4440	0.000	1	128.9795	26.601	4	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(SCOO)(H)	133.1410	0.000	1	128.9795	26.601	4	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	132.1130	0.000	1	128.8337	34.000	10	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	131.0277	0.834	3	128.8337	34.000	10	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	130.1730	7.349	3	128.8337	34.000	10	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	124.2073	7.135	3	128.8337	34.000	10	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O)	C(C[5]C[5,6a]2)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2)(SCOO)(H)	123.8390	0.110	2	123.8390	0.012	2	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O)	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	123.5768	0.785	4	123.5768	0.616	4	127.3120	26.414	20	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CCHH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){1|H<1>,6|C<3>}	C(C[5]C[5,6a]2)(CCHH)(H)	126.5030	0.000	1	126.5030	0.000	1	126.5030	0.000	1	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC3)(H)	136.7900	0.000	1	136.7900	0.000	1	136.7900	0.000	1	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CH3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CH3)(O)	111.1560	0.000	1	111.1560	0.000	1	118.1775	98.603	2	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CH3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	C(C[5]C[5,6a]C[5])(CH3)(O)	125.1990	0.000	1	125.1990	0.000	1	118.1775	98.603	2	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Co)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2Co)(H)	132.5973	6.552	3	132.5973	42.935	3	133.3482	22.634	18	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	135.4320	0.000	2	134.7719	11.109	11	133.3482	22.634	18	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	135.2200	0.000	1	134.7719	11.109	11	133.3482	22.634	18	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<6>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	130.3520	7.698	2	134.7719	11.109	11	133.3482	22.634	18	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	135.9505	0.820	6	134.7719	11.109	11	133.3482	22.634	18	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2Ru)(H)	124.5525	0.199	2	124.5525	0.039	2	133.3482	22.634	18	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	135.4395	0.566	2	135.4395	0.321	2	133.3482	22.634	18	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(SiC3)(H)	129.4295	0.361	2	129.4295	0.131	2	129.4295	0.131	2	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(CCCH)(H)	131.7050	0.000	1	131.7050	0.000	1	129.9723	1.476	4	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(CCCH)(H)	129.3410	0.638	2	129.3410	0.407	2	129.9723	1.476	4	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(CH3)(H)	129.5020	0.000	1	129.5020	0.000	1	129.9723	1.476	4	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CC3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5])(CC3)(O)	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[3]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(C[3]C[3]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(C[3]C[3]2H)(H)	125.1755	0.305	2	125.1755	0.093	2	125.1755	0.093	2	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	126.3413	0.421	3	126.5246	0.153	5	126.6569	11.122	7	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	126.7510	0.000	1	126.5246	0.153	5	126.6569	11.122	7	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	126.8480	0.000	1	126.5246	0.153	5	126.6569	11.122	7	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	126.9875	8.113	2	126.9875	65.815	2	126.6569	11.122	7	128.8795	31.778	62	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CC3)(OC)	C[5](C[5,6a]C[5,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CC3)(OC)	127.4285	3.514	2	127.4285	12.345	2	127.1700	4.219	4	127.1700	4.219	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:O-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CH3)(OC)	C[5](C[5,6a]C[5,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CH3)(OC)	126.9115	0.211	2	126.9115	0.045	2	127.1700	4.219	4	127.1700	4.219	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CH3)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CH3)(CHO)	126.4600	0.000	1	126.4600	0.000	1	130.1685	5.912	6	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCC)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCC){1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	131.7080	0.000	1	131.7080	0.000	1	130.1685	5.912	6	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	128.4580	0.000	1	128.4580	0.000	1	130.1685	5.912	6	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCHH)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CCHH)(CNO)	130.4440	0.000	1	130.4440	0.000	1	130.1685	5.912	6	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCHH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CCHH)(COO)	133.3740	0.000	1	133.3740	0.000	1	130.1685	5.912	6	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[5]HH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[5]HH)(COO)	130.5670	0.000	1	130.5670	0.000	1	130.1685	5.912	6	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CH3)(NHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5])(CH3)(NHN)	128.7600	0.028	2	128.7600	0.001	2	130.2351	0.540	14	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CH3)(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(CH3)(NHH)	130.4809	0.420	12	130.4809	0.177	12	130.2351	0.540	14	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2N)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2N)(CC[6a]O)	127.4720	0.000	1	127.4720	0.000	1	127.8885	0.347	2	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2O)(CC[6a]O)	128.3050	0.000	1	128.3050	0.000	1	127.8885	0.347	2	130.0036	2.228	22	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CCHH)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CCHH)2	127.6105	0.110	2	127.6105	0.012	2	127.6105	0.012	2	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCCH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CCCH)(CH3)	130.0920	0.000	1	130.0920	0.000	1	130.0560	0.184	12	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCHH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(CCHH)(CH3)	130.3197	0.131	3	130.3197	0.017	3	130.0560	0.184	12	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CH3)2	130.4005	0.090	2	129.9526	0.243	8	130.0560	0.184	12	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]C[5])(CH3)2	129.8033	0.481	6	129.9526	0.243	8	130.0560	0.184	12	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[3]-4:C[3]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[3]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[3]C[3]2H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[3]2){3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[3]C[3]2H)2	133.0940	0.000	1	133.0940	0.000	1	133.0940	0.000	1	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6a]N[5])(CH3)2	131.5510	0.000	1	131.5510	0.000	1	131.5510	0.000	1	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CSiHH)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(CSiHH)(SiC3)	130.4010	0.000	1	130.4010	0.000	1	130.4010	0.000	1	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(SiC[6a]CC)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]N[5])(SiC[6a]CC)(CCHH)	132.2030	0.000	1	132.2030	0.000	1	132.2030	0.000	1	130.1746	1.761	18	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:F-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(F)	129.0200	0.478	2	129.0200	0.228	2	129.0200	0.228	2	130.1123	3.694	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	B[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(B[5,5]N[5,5]O[5]2)(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(B[5,5]N[5,5]O[5]2)(C[5]C[5,6a]N[5])(H)	132.2970	0.000	1	132.2970	0.000	1	132.2970	0.000	1	130.1123	3.694	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[5,6a])(C[5]C[5]C){3|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	122.2990	0.877	2	122.2990	0.769	2	122.2990	0.769	2	120.9520	4.022	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	N[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	120.9520	4.022	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	N[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[6]-3:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CN[6]H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CN[6]H){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	120.9520	4.022	4	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6a]C[5,5])(H)2	127.3580	0.000	1	127.3580	0.000	1	127.1670	0.050	3	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5,5])(H)2	127.0715	0.214	2	127.0715	0.046	2	127.1670	0.050	3	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6])(H)2	128.4190	0.229	2	128.4190	0.052	2	128.4190	0.052	2	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH)	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH){1|C<3>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C){1|C<2>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5])(H)2	130.3870	0.000	1	130.3870	0.000	1	130.3870	0.000	1	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(H)2	127.8700	0.000	1	127.8700	0.000	1	128.2986	1.519	7	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	C(C[5]C[5,6a]C[5])(H)2	127.3185	0.364	2	127.3185	0.133	2	128.2986	1.519	7	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6a]C[5])(H)2	128.6650	0.000	1	128.6650	0.000	1	128.2986	1.519	7	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(H)2	129.1150	0.000	1	129.1150	0.000	1	128.2986	1.519	7	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,4|H<1>}	C(C[5]C[5,6a]C[5])(H)2	127.2660	0.000	1	127.2660	0.000	1	128.2986	1.519	7	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(H)2	130.5370	0.000	1	130.5370	0.000	1	128.2986	1.519	7	128.2166	1.451	13	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:C-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,5])(CN)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(CCC){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C(C[5]C[5,6a]C[5,5])(CN)2	128.4995	0.265	2	128.4995	0.070	2	128.4995	0.070	2	128.4995	0.070	2	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)	128.6230	4.338	3	128.6230	18.815	3	128.6230	18.815	3	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	126.2820	0.000	1	126.2820	0.000	1	126.4115	0.034	2	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	126.5410	0.000	1	126.5410	0.000	1	126.4115	0.034	2	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd2)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd2)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<10>,1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	124.1307	0.495	4	124.1307	0.245	4	124.1307	0.245	4	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	125.5370	0.000	1	124.6195	1.684	2	126.9871	10.459	15	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	123.7020	0.000	1	124.6195	1.684	2	126.9871	10.459	15	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	125.0980	1.253	2	125.0980	1.570	2	126.9871	10.459	15	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	128.9385	5.881	2	128.9385	34.586	2	126.9871	10.459	15	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	127.2330	1.624	4	127.2330	2.637	4	126.9871	10.459	15	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	128.6968	4.182	4	128.6968	17.486	4	126.9871	10.459	15	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	123.7750	0.000	1	123.7750	0.000	1	126.9871	10.459	15	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,2|C<2>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	133.6870	0.000	1	132.0705	5.226	2	132.0705	5.226	2	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	130.4540	0.000	1	132.0705	5.226	2	132.0705	5.226	2	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]C){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	128.7130	0.000	1	128.7130	0.000	1	128.7130	0.000	1	127.1435	10.976	27	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OS)	129.1740	0.000	1	129.1740	0.000	1	129.1740	0.000	1	129.1740	0.000	1	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)2	128.2300	0.000	1	128.2300	0.000	1	128.5130	0.160	2	128.3027	0.889	7	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)2	128.7960	0.000	1	128.7960	0.000	1	128.5130	0.160	2	128.3027	0.889	7	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<5>,1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	128.4900	0.000	1	128.4900	0.000	1	129.0200	0.562	2	128.3027	0.889	7	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a]){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	129.5500	0.000	1	129.5500	0.000	1	129.0200	0.562	2	128.3027	0.889	7	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	126.4540	0.000	1	126.4540	0.000	1	127.4760	2.089	2	128.3027	0.889	7	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	128.4980	0.000	1	128.4980	0.000	1	127.4760	2.089	2	128.3027	0.889	7	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	128.1010	0.000	1	128.1010	0.000	1	128.1010	0.000	1	128.3027	0.889	7	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]C){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(CH3)	128.5830	0.000	1	128.5830	0.000	1	128.5830	0.000	1	126.0840	10.322	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	126.0840	10.322	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C)	C(C[5]C[5,6a]Si[5])(C[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]Si[5])(C[6a]C[6a]2)(CH3)	127.2090	0.000	1	127.2090	0.000	1	127.2090	0.000	1	126.0840	10.322	3	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:B[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C)	C(C[5]C[5,6a]B[5])(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]B[5])(CC3)(H)	133.3795	0.486	2	133.3795	0.236	2	133.3795	0.236	2	129.8072	14.389	6	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CH3)(H)	126.2495	0.846	2	126.2495	0.716	2	126.3723	0.403	3	129.8072	14.389	6	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]C[5,6a]C[5])(CCHH)(H)	126.6180	0.000	1	126.6180	0.000	1	126.3723	0.403	3	129.8072	14.389	6	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:P[6]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(P[6]O[6]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5])(P[6]O[6]2O)(H)	132.9670	0.000	1	132.9670	0.000	1	132.9670	0.000	1	129.8072	14.389	6	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:2:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C)	C(C[5]C[5,6a]Si[5])(CH3)(CC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]Si[5])(CH3)(CC)	126.4880	0.000	1	126.4880	0.000	1	126.4880	0.000	1	126.4880	0.000	1	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5])(H)2	129.6530	0.000	1	129.6530	0.000	1	127.9758	0.917	5	128.2154	1.055	9	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5])(H)2	127.5565	0.225	4	127.5565	0.050	4	127.9758	0.917	5	128.2154	1.055	9	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6])(H)2	127.9365	0.559	2	127.9365	0.313	2	128.5150	1.376	4	128.2154	1.055	9	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6])(H)2	127.9810	0.000	1	127.9810	0.000	1	128.5150	1.376	4	128.2154	1.055	9	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6])(H)2	130.2060	0.000	1	130.2060	0.000	1	128.5150	1.376	4	128.2154	1.055	9	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	125.3090	0.000	1	125.3090	0.000	1	125.3090	0.000	1	125.3090	0.000	1	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	132.4220	0.000	1	132.4220	0.000	1	132.4220	0.000	1	132.4220	0.000	1	128.5760	16.292	715	128.5171	15.711	754
818	727	930	0:SP2_SP2_SP2	C[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[5,6])(CH3)(H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6])(CH3)(H)	131.6700	0.000	1	131.6700	0.000	1	131.6700	0.000	1	131.6700	0.000	1	128.5760	16.292	715	128.5171	15.711	754
818	727	937	0:SP2_SP1_SP2	C[5]	C[5a]	Si[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5,5]-3:Si[5]-2:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5])	C[5a](C[5,5a]C[5,5a]C[5])(C[5]C[5,5]Si[5])(S[5a]C[5a])	Si[5](C[5]C[5,5]C[5a])(C[5]C[5,5]H)	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5]C[5,5]Si[5])(S[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	Si[5](C[5]C[5,5]C[5a])(C[5]C[5,5]H){1|C<3>,1|S<2>,2|C<4>}	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1
818	727	940	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	P	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:P-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	127.3190	10.798	2	123.2505	62.146	4	123.2505	62.146	4	127.3063	77.382	6	127.3063	77.382	6	127.3063	77.382	6
818	727	940	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	P	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:P-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	119.1820	1.908	2	123.2505	62.146	4	123.2505	62.146	4	127.3063	77.382	6	127.3063	77.382	6	127.3063	77.382	6
818	727	940	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	P	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:P-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P)	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P){1|H<1>,4|C<3>}	P(C[5]C[5,6a]2)(C[6a]C[6a]2)	135.4180	1.754	2	135.4180	3.075	2	135.4180	3.075	2	127.3063	77.382	6	127.3063	77.382	6	127.3063	77.382	6
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,5a]	N	3:2:2:	3:2:3:	3:4:	C[5,5a]-3:S[5]-2:N-2:	N[5,5a]-3:N[5a]-2:C[5]-3:	C[5]-3:C-4:	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(NC)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N)	N(C[5]C[5,5a]S[5])(CC3)	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(NC){1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N){1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5,5a]S[5])(CC3)	123.8200	0.000	1	123.8200	0.000	1	123.8200	0.000	1	123.8200	0.000	1	131.9214	30.002	5	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,5a]	N	3:2:2:	3:3:3:	3:4:	C[5,5a]-3:O[5]-2:N-2:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,5a]C[5,5a]N[5a])(O[5]C[5])(NC)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N)	N(C[5]C[5,5a]O[5])(CC3)	C[5](C[5,5a]C[5,5a]N[5a])(O[5]C[5])(NC){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,5a]O[5])(CC3)	130.1750	0.000	1	130.1750	0.000	1	130.1750	0.000	1	130.1750	0.000	1	131.9214	30.002	5	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,5a]	N	3:3:2:	3:3:2:	3:4:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5]-3:C-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a])	N(C[5]C[5,5a]C[5,6a])(CC3)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	N(C[5]C[5,5a]C[5,6a])(CC3)	137.0560	0.000	1	137.0560	0.000	1	137.0560	0.000	1	137.0560	0.000	1	131.9214	30.002	5	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,5a]	N	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]N)(C[5a]C[5a]H)	N(C[5]C[5,5a]C[5,6a])(CN)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|S<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]N)(C[5a]C[5a]H){1|C<4>,2|C<3>}	N(C[5]C[5,5a]C[5,6a])(CN)	131.6460	0.000	1	131.6460	0.000	1	131.6460	0.000	1	131.6460	0.000	1	131.9214	30.002	5	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,5a]	N	3:4:2:	3:3:3:	3:4:	C[5,5a]-3:C[5]-4:N-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:S-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N)	N(C[5]C[5,5a]C[5])(SC[6a]OO)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]O)(NS){1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N(C[5]C[5,5a]C[5])(SC[6a]OO)	136.9100	0.000	1	136.9100	0.000	1	136.9100	0.000	1	136.9100	0.000	1	131.9214	30.002	5	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:1:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(H)	127.2967	2.649	3	127.2967	7.019	3	127.2967	7.019	3	127.2967	7.019	3	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:2:	C[5,6a]-3:S[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N)	N(C[5]C[5,6a]S[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(NN){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N){2|H<1>,3|C<3>}	N(C[5]C[5,6a]S[5])(NC)	122.8223	1.357	3	122.8223	1.841	3	122.8223	1.841	3	122.8223	1.841	3	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N(C[5]C[5,6a]N[5])2	122.5648	1.328	23	122.4322	2.109	24	122.4322	2.109	24	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	N(C[5]C[5,6a]N[5])2	119.3810	0.000	1	122.4322	2.109	24	122.4322	2.109	24	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	121.2366	1.091	5	121.4743	1.292	6	121.4743	1.292	6	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	122.6630	0.000	1	121.4743	1.292	6	121.4743	1.292	6	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	122.1060	0.000	1	123.2258	0.918	4	122.7143	2.371	9	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	123.5990	0.736	3	123.2258	0.918	4	122.7143	2.371	9	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	123.0867	0.839	4	123.0867	0.704	4	122.7143	2.371	9	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	119.1790	0.000	1	119.1790	0.000	1	122.7143	2.371	9	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	121.5257	1.801	3	121.2428	1.845	8	121.6311	1.326	15	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	122.2940	0.051	2	121.2428	1.845	8	121.6311	1.326	15	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	120.2590	0.732	3	121.2428	1.845	8	121.6311	1.326	15	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	121.9094	0.700	5	121.9094	0.490	5	121.6311	1.326	15	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	122.4885	0.793	2	122.4885	0.628	2	121.6311	1.326	15	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CC[6]N)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC){1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(CC[6]N)	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N)	N(C[5]C[5,6a]O[5])2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,2|H<1>}	N(C[5]C[5,6a]O[5])2	127.9165	0.687	2	127.9165	0.471	2	127.9165	0.471	2	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	126.8780	0.000	1	126.5390	0.230	2	126.5390	0.230	2	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|C<4>,2|H<1>}	N(C[5]C[5,6a]O[5])(C[6a]C[6a]2)	126.2000	0.000	1	126.5390	0.230	2	126.5390	0.230	2	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	N(C[5]C[5,6a]O[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]O[5])(NC[6a]H)	127.4890	0.000	1	127.4890	0.000	1	127.4890	0.000	1	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:S[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(NC[6a])	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N)	N(C[5]C[5,6a]S[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(NC[6a]){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]S[5]N){3|C<3>}	N(C[5]C[5,6a]S[5])(C[6a]C[6a]2)	124.4770	0.000	1	124.4770	0.000	1	124.4770	0.000	1	122.5523	4.096	61	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	123.5955	0.327	2	123.5955	0.107	2	123.5955	0.107	2	125.0478	2.116	6	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	N(C[5]C[5,6a]O[5])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	N(C[5]C[5,6a]O[5])(CC3)	126.7770	0.000	1	126.7770	0.000	1	126.7770	0.000	1	125.0478	2.116	6	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	N(C[5]C[5,6a]O[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	N(C[5]C[5,6a]O[5])(SC[6a]OO)	125.4397	1.184	3	125.4397	1.401	3	125.4397	1.401	3	125.0478	2.116	6	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:2:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a]){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	125.7290	21.806	2	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:2:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	N(C[5]C[5,6a]2)(NC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	N(C[5]C[5,6a]2)(NC[5a]H)	129.0310	0.000	1	129.0310	0.000	1	129.0310	0.000	1	125.7290	21.806	2	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5,6]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[5,6])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	N(C[5]C[5,6a]C[5,6])(N)	126.5920	0.000	1	126.5920	0.000	1	126.5920	0.000	1	126.2437	7.369	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(N)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(N)	125.1932	0.247	4	125.1932	0.061	4	125.1932	0.061	4	126.2437	7.369	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|S<4>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(N)	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	126.2437	7.369	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]N[5])(H)	132.1750	0.000	1	132.1750	0.000	1	132.1750	0.000	1	126.2437	7.369	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N)	N(C[5]C[5,5a]C[5,6a])(CN)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N){1|H<1>,1|S<2>,3|C<3>}	N(C[5]C[5,5a]C[5,6a])(CN)	121.8960	0.000	1	121.8960	0.000	1	121.8960	0.000	1	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(NC)	126.7920	6.534	6	126.7920	42.689	6	126.5201	31.677	20	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(NC[5])	126.6843	6.590	4	126.6843	43.423	4	126.5201	31.677	20	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NFe)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(NFe)	125.5465	0.425	2	125.5465	0.181	2	126.5201	31.677	20	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NRu)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(NRu)	125.4295	2.105	2	125.4295	4.431	2	126.5201	31.677	20	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NC)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5,6a]2)(NC)	126.8268	7.045	6	126.8268	49.628	6	126.5201	31.677	20	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(OC)	C[5](C[5,6a]C[5,6a]C[6a])2(NO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(OC)	126.6915	11.057	2	126.6915	122.258	2	125.8293	49.448	6	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(OFe)	C[5](C[5,6a]C[5,6a]C[6a])2(NO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(OFe)	124.3170	8.212	2	124.3170	67.442	2	125.8293	49.448	6	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])2(NO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(OH)	126.4795	7.116	2	126.4795	50.632	2	125.8293	49.448	6	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(NS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(SC[6a])	127.0032	7.542	4	127.0032	56.886	4	126.9227	48.989	8	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])2(NS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(SN)	C[5](C[5,6a]C[5,6a]C[6a])2(NS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(SN)	126.8423	7.577	4	126.8423	57.405	4	126.9227	48.989	8	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	N(C[5]C[5,6a]C[5])(NC)	131.4650	0.064	2	131.4650	0.004	2	131.4650	0.004	2	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OAl)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	N(C[5]C[5,6a]C[5])(OAl)	131.4030	1.731	2	131.4030	2.996	2	128.2141	21.493	7	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	N(C[5]C[5,6a]C[5])(OH)	132.3290	0.569	2	132.3290	0.323	2	128.2141	21.493	7	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OMn)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	N(C[5]C[5,6a]C[5])(OMn)	123.3450	0.394	3	123.3450	0.155	3	128.2141	21.493	7	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[5])	132.3080	0.000	1	133.5970	3.323	2	130.9223	23.123	3	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|S<4>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[5])	134.8860	0.000	1	133.5970	3.323	2	130.9223	23.123	3	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC)	125.5730	0.000	1	125.5730	0.000	1	130.9223	23.123	3	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(OH)	135.5613	0.490	3	135.5863	0.305	7	135.5863	0.305	7	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(OH)	135.8100	0.000	1	135.5863	0.305	7	135.5863	0.305	7	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	N(C[5]C[5,6a]C[5])(OH)	136.4390	0.000	1	135.5863	0.305	7	135.5863	0.305	7	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(OH)	135.0855	0.265	2	135.5863	0.305	7	135.5863	0.305	7	128.2399	36.554	54	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]N)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a]){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]N){2|N<2>,5|C<3>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	132.0310	0.000	1	132.0310	0.000	1	132.0310	0.000	1	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	127.2121	5.839	16	127.2121	34.092	16	127.2390	34.021	24	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5,6a]2)(C[6a]C[6a]2)	127.2926	6.223	8	127.2926	38.724	8	127.2390	34.021	24	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	N(C[5]C[5,6a]2)(NC[5a]H)	124.5950	0.000	1	124.5950	0.000	1	126.7396	62.711	17	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NBH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(NBH)	126.8975	11.091	2	126.8975	123.010	2	126.7396	62.711	17	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NBP)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(NBP)	127.0635	12.220	2	127.0635	149.316	2	126.7396	62.711	17	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(NCH)	126.8202	8.923	6	126.8202	79.616	6	126.7396	62.711	17	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(NHS)	126.7255	9.134	2	126.7255	83.424	2	126.7396	62.711	17	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5,6a]2)(NCH)	126.9213	9.028	4	126.9213	81.505	4	126.7396	62.711	17	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN[5a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(N[5a]C[5a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(NN[5a]){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5,6a]2)(N[5a]C[5a]2)	126.8160	11.037	2	126.8160	121.805	2	126.8160	121.805	2	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	132.4990	0.459	3	132.4990	0.210	3	132.4990	0.210	3	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	132.1806	3.252	16	132.3035	10.168	17	132.6704	7.826	23	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	134.2700	0.000	1	132.3035	10.168	17	132.6704	7.826	23	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	133.7098	0.375	6	133.7098	0.140	6	132.6704	7.826	23	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	N(C[5]C[5,6a]C[5])(NCH)	124.5842	6.044	4	124.5842	36.527	4	124.4875	22.268	6	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	N(C[5]C[5,6a]C[5])(NCH)	125.2010	0.000	1	125.2010	0.000	1	124.4875	22.268	6	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	N(C[5]C[5,6a]C[5])(NC[6a]H)	123.3870	0.000	1	123.3870	0.000	1	124.4875	22.268	6	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	133.5000	0.000	1	133.5000	0.000	1	133.5000	0.000	1	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[5]C[5,6a]C[5])(COO)	125.5500	0.000	1	125.5500	0.000	1	125.5500	0.000	1	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[5a]C[5a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(C[5a]C[5a]2)	136.3500	0.000	1	136.3500	0.000	1	136.3500	0.000	1	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	134.1220	0.000	1	133.8425	0.156	2	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	133.5630	0.000	1	133.8425	0.156	2	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	134.9320	0.140	2	134.9320	0.020	2	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|F<1>,1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	134.1190	0.000	1	134.4490	0.218	2	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	134.7790	0.000	1	134.4490	0.218	2	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	132.9510	0.000	1	132.9510	0.000	1	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	126.8480	0.000	1	126.8480	0.000	1	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	126.3775	0.132	2	126.3775	0.017	2	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	136.0410	0.000	1	135.3645	0.754	20	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	135.5019	0.484	10	135.3645	0.754	20	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	133.4160	0.000	1	135.3645	0.754	20	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	134.9120	0.605	2	135.3645	0.754	20	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	135.4983	1.173	6	135.3645	0.754	20	134.2097	7.631	30	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NHH)	124.4880	0.068	2	124.4880	0.005	2	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	126.1625	0.427	13	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	N(C[5]C[5,6a]C[5])(NCH)	126.0810	0.000	1	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	126.1877	0.222	3	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	126.0530	0.204	2	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	126.0728	0.453	5	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	126.2920	0.901	4	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	124.1395	0.653	2	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	126.7197	2.560	22	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	125.7583	0.386	4	126.2775	2.893	56	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(NC[5a]H)	125.9660	0.000	1	125.9660	0.000	1	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(NC[6a]C)	117.5490	0.000	1	117.5490	0.000	1	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[6a]H)	126.0440	0.000	1	126.0758	0.046	5	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[6a]H)	126.1740	0.000	1	126.0758	0.046	5	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[6a]H)	125.8830	0.000	1	126.0758	0.046	5	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[6a]H)	126.3910	0.000	1	126.0758	0.046	5	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC[6a]H)	125.8870	0.000	1	126.0758	0.046	5	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(NHH)	125.9790	0.000	1	126.0745	0.018	2	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(NHH)	126.1700	0.000	1	126.0745	0.018	2	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NHS)	125.0520	0.000	1	125.4520	0.320	2	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(NHS)	125.8520	0.000	1	125.4520	0.320	2	126.0502	3.535	69	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a]){4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N){2|H<1>,5|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])	124.0860	0.000	1	124.0860	0.000	1	124.0860	0.000	1	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(NC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cu<4>,1|C<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]N[5])(CCN)	119.6460	0.000	1	119.6460	0.000	1	122.2677	21.667	3	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC){1|F<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]N){1|Ni<4>,1|C<3>,1|O<1>,2|F<1>}	N(C[5]C[5,6a]N[5])(CCN)	119.5150	0.000	1	119.5150	0.000	1	122.2677	21.667	3	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CPdN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]N[5])(CPdN)	127.6420	0.000	1	127.6420	0.000	1	122.2677	21.667	3	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<2>,4|H<1>}	N(C[5]C[5,6a]N[5])2	123.7410	0.000	1	123.7410	0.000	1	120.3538	3.790	5	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Re<6>,1|C<3>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]N[5])2	119.5070	0.523	4	119.5070	0.273	4	120.3538	3.790	5	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a]){1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	133.2720	0.000	1	133.2720	0.000	1	133.2720	0.000	1	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6]){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Fe<5>,1|C<3>,1|N<2>,3|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]2)	121.9780	0.000	1	121.9780	0.000	1	121.9780	0.000	1	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	135.0650	0.000	1	132.1157	6.562	3	132.2024	11.743	8	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	130.6410	0.276	2	132.1157	6.562	3	132.2024	11.743	8	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ir)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ir)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Ir<9>,1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	132.7760	0.000	1	132.7760	0.000	1	132.2024	11.743	8	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(NC[6a]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Pd<4>,1|C<3>,4|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	125.8020	0.000	1	125.8020	0.000	1	132.2024	11.743	8	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N){1|O<1>,5|C<3>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	136.9600	0.000	1	136.9600	0.000	1	132.2024	11.743	8	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	134.3240	0.000	1	134.3240	0.000	1	132.2024	11.743	8	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]N[6a])	131.4100	0.000	1	131.4100	0.000	1	132.2024	11.743	8	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,4|H<1>}	N(C[5]C[5,6a]N[5])(NCH)	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	119.6470	0.184	2	119.2047	0.275	4	120.3794	3.231	16	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cd<6>,1|C<3>,2|H<1>,2|N<2>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	118.7625	0.095	2	119.2047	0.275	4	120.3794	3.231	16	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Co<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	118.3300	0.000	2	120.5943	6.837	4	120.3794	3.231	16	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Co<6>,1|C<3>,2|H<1>,2|N<2>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	122.8585	0.047	2	120.5943	6.837	4	120.3794	3.231	16	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Fe<6>,1|C<3>,2|H<1>,2|N<2>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	123.1535	0.305	2	123.1535	0.093	2	120.3794	3.231	16	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Ni<4>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	120.7730	0.375	2	120.7730	0.140	2	120.3794	3.231	16	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Re<6>,1|C<3>,1|O<1>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	118.7655	0.074	2	118.7655	0.006	2	120.3794	3.231	16	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Zn<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	120.7455	0.125	2	120.7455	0.016	2	120.3794	3.231	16	127.8591	31.200	214	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H)	N(C[5]C[5,5a]C[5,6a])(CC3)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[5]C[5,5a]C[5,6a])(CC3)	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(NC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])2(NC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(CC[6a]CH)	127.3405	9.306	2	127.3405	86.606	2	127.3405	86.606	2	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CC3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	N(C[5]C[5,6a]C[5])(CC3)	127.2035	11.033	2	127.2035	121.727	2	127.2035	121.727	2	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(CC3)	140.5170	0.000	1	140.5170	0.000	1	128.2287	36.318	6	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(CCCH)	125.5300	0.204	2	125.5300	0.041	2	128.2287	36.318	6	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(CCCH)	126.0335	0.301	2	126.0335	0.090	2	128.2287	36.318	6	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[5]C[5,6a]C[5])(CCHH)	125.7280	0.000	1	125.7280	0.000	1	128.2287	36.318	6	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	130.9075	8.202	2	130.9075	67.268	2	130.9075	67.268	2	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(PC[6a]2S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[5]C[5,6a]C[5])(PC[6a]2S)	137.2850	0.000	1	137.2850	0.000	1	137.2850	0.000	1	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[5])(SC[6a]OO)	134.1210	0.000	1	134.1210	0.000	1	135.6615	4.746	2	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(SCOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(SCOO)	137.2020	0.000	1	137.2020	0.000	1	135.6615	4.746	2	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]N[5])(CCHH)	134.5935	2.549	2	134.5935	6.498	2	132.9462	47.086	4	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]N[5])(CC[6a]HH)	123.4280	0.000	1	123.4280	0.000	1	132.9462	47.086	4	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(CC3)	139.1700	0.000	1	139.1700	0.000	1	132.9462	47.086	4	130.0726	46.852	20	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,5,6]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(NO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N)	N(C[5]C[5,5,6]C[5,6a])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(NO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,5,6]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N(C[5]C[5,5,6]C[5,6a])(OH)	122.5350	0.000	1	122.5350	0.000	1	122.5350	0.000	1	125.3813	29.219	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6]-4:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[5,6])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(NO){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N(C[5]C[5,6a]C[5,6])(OH)	129.1200	0.000	1	129.1200	0.000	1	129.1200	0.000	1	125.3813	29.219	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,5|H<1>}	N(C[5]C[5,6a]C[5])(NC)	121.6840	0.000	1	121.6840	0.000	1	122.1700	0.289	3	125.3813	29.219	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	N(C[5]C[5,6a]C[5])(NC[5])	122.4130	0.474	2	122.4130	0.224	2	122.1700	0.289	3	125.3813	29.219	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5])(OH)	136.2140	0.000	1	136.2140	0.000	1	129.7520	83.515	2	125.3813	29.219	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	N(C[5]C[5,6a]C[5])(OH)	123.2900	0.000	1	123.2900	0.000	1	129.7520	83.515	2	125.3813	29.219	7	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]N[5])(NC[6a]){1|Ga<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)	134.2410	0.120	2	134.2410	0.014	2	134.2410	0.014	2	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6]-4:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	133.2545	0.267	2	133.2545	0.071	2	133.2545	0.071	2	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	132.0689	0.621	7	132.0689	0.386	7	132.2194	0.512	8	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CO)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<2>,4|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	133.2730	0.000	1	133.2730	0.000	1	132.2194	0.512	8	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NO)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	123.8970	0.000	1	123.8970	0.000	1	130.7030	34.748	3	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	134.0260	0.000	1	134.0260	0.000	1	130.7030	34.748	3	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(NC[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	134.1860	0.000	1	134.1860	0.000	1	130.7030	34.748	3	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(NN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,4|H<1>}	N(C[5]C[5,6a]C[5])(NCH)	122.5430	0.000	1	122.5430	0.000	1	122.5430	0.000	1	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(SCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NS){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	N(C[5]C[5,6a]C[5])(SCO)	121.6360	0.000	1	121.6360	0.000	1	121.6360	0.000	1	131.1196	17.216	17	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]NiN)(NSi)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(SiC3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]NiN)(NSi){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	N(C[5]C[5,6a]C[5])(SiC3)	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	123.1720	0.582	3	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	N(C[5]C[5,6a]C[5])(CCHH)	123.5470	0.000	1	123.5470	0.000	1	123.6110	0.008	2	123.1720	0.582	3	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5])(CCHH)	123.6750	0.000	1	123.6750	0.000	1	123.6110	0.008	2	123.1720	0.582	3	127.1644	31.223	398	127.2234	31.412	403
818	727	941	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	4:3:2:	3:3:3:	3:3:	C[4,5]-4:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-3:	C[5](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(NN)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[4,5])(NC[6a]H)	C[5](C[4,5]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(NN){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[4,5])(NC[6a]H)	135.4460	0.000	1	135.4460	0.000	1	135.4460	0.000	1	135.4460	0.000	1	127.1644	31.223	398	127.2234	31.412	403
818	727	944	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	I(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	I(C[5]C[5,6a]C[5])	120.3830	0.000	1	120.3830	0.000	1	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6
818	727	944	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	I(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	I(C[5]C[5,6a]C[5])	119.5815	0.422	2	119.5815	0.178	2	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6
818	727	944	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	I(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,3|C<3>}	I(C[5]C[5,6a]C[5])	121.9530	0.000	1	121.7740	0.064	2	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6
818	727	944	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	I(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){3|C<3>,3|H<1>}	I(C[5]C[5,6a]C[5])	121.5950	0.000	1	121.7740	0.064	2	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6
818	727	944	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(I)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I)	I(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(I){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I){1|Cl<1>,1|H<1>,2|C<3>}	I(C[5]C[5,6a]C[5])	123.3460	0.000	1	123.3460	0.000	1	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6	121.0733	2.263	6
818	727	945	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-3:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(NCC)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	P(C[5]C[5,6a]C[5])(NCC)(Cl)	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	123.6590	35.590	5	123.6590	35.590	5
818	727	945	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	127.3710	0.000	1	127.3710	0.000	1	127.3710	0.000	1	127.3710	0.000	1	123.6590	35.590	5	123.6590	35.590	5
818	727	945	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	132.3730	0.000	1	132.3730	0.000	1	132.3730	0.000	1	132.3730	0.000	1	123.6590	35.590	5	123.6590	35.590	5
818	727	945	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:3:	3:3:3:	6:3:3:	C[5,6a]-3:P-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5x3,5x5,20x6]-6:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	119.6960	0.000	1	119.1860	0.520	2	119.1860	0.520	2	119.1860	0.520	2	123.6590	35.590	5	123.6590	35.590	5
818	727	945	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:3:	3:3:3:	6:3:3:	C[5,6a]-3:P-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5x3,5x5,20x6]-6:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	118.6760	0.000	1	119.1860	0.520	2	119.1860	0.520	2	119.1860	0.520	2	123.6590	35.590	5	123.6590	35.590	5
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(S[5a]C[5a,6a])(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H){4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(S[5a]C[5a,6a])(C[5]C[5]H){1|C<4>,4|C<3>}	H(C[5]C[5,5a]C[5])	125.9770	0.000	1	125.9770	0.000	1	123.4177	2.504	8	123.4177	2.504	8	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]S[5])(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]S[5])(H){1|S<4>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5a]C[5])	123.7120	0.000	1	123.7120	0.000	1	123.4177	2.504	8	123.4177	2.504	8	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]S[5])(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]S[5])(H){1|S<2>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5a]C[5])	123.7180	0.000	1	123.7180	0.000	1	123.4177	2.504	8	123.4177	2.504	8	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]C)(H)	C[5,5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]C)(H){2|C<3>,2|O<1>}	C[5,5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,2|O<1>}	H(C[5]C[5,5a]C[5])	123.1010	2.425	2	123.1010	5.882	2	123.4177	2.504	8	123.4177	2.504	8	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]H)(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]H)(H){2|C<3>,2|O<1>}	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,5a]C[5])	123.8880	0.000	1	123.8880	0.000	1	123.4177	2.504	8	123.4177	2.504	8	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]Si)(H)	C[5,5a](C[5,5a]C[5,5a]Se[5])(S[5a]C[5,5a])(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]Si)(H){2|C<3>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(S[5a]C[5,5a])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>}	H(C[5]C[5,5a]C[5])	121.9225	0.159	2	121.9225	0.025	2	123.4177	2.504	8	123.4177	2.504	8	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H){4|C<3>}	H(C[5]C[5,5a]C[5,6a])	127.5640	0.000	1	127.5640	0.000	1	127.5640	0.000	1	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H)	H(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[5]C[5,5a]C[5,6a])	126.9590	0.000	1	126.9590	0.000	1	126.9590	0.000	1	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]2)(C[5]Se[5]Si)(H)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]2)(C[5]Se[5]Si)(H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	H(C[5]C[5,5a]C[5])	121.2690	0.016	2	121.2690	0.000	2	121.2690	0.000	2	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){4|H<1>}	H(C[5]C[5,5a]C[5])	126.9790	0.540	2	126.9790	0.292	2	126.0401	0.576	29	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5])	126.0195	0.701	26	126.0195	0.491	26	126.0401	0.576	29	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]C)(H)	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]C)(H){1|N<3>,2|C<3>}	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H){5|C<3>}	H(C[5]C[5,5a]C[5])	124.6970	0.000	1	124.6970	0.000	1	126.0401	0.576	29	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]I)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]I)(H){1|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|I<1>,4|C<3>}	H(C[5]C[5,5a]C[5])	126.6640	0.330	2	126.6640	0.109	2	124.3828	2.032	8	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H){1|C<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|H<1>,2|C<3>}	H(C[5]C[5,5a]C[5])	123.5950	0.237	4	123.5950	0.056	4	124.3828	2.032	8	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	H(C[5]C[5,5a]C[5])	123.6770	0.245	2	123.6770	0.060	2	124.3828	2.032	8	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|O<1>,3|H<1>}	H(C[5]C[5,5a]C[5])	122.7600	0.000	1	124.8762	2.010	4	124.8762	2.010	4	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|S<3>,4|H<1>}	H(C[5]C[5,5a]C[5])	125.5775	0.243	2	124.8762	2.010	4	124.8762	2.010	4	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	H(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	H(C[5]C[5,5a]C[5])	125.5900	0.000	1	124.8762	2.010	4	124.8762	2.010	4	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5]-3:C[5,5a]-3:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](N[5,5]C[5,6a]Si[3x5])(C[5,5a]N[5,5a]C[5a])(H)	C[5,5a](N[5,5a]Si[3x5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]N[5,5])	C[5](N[5,5]C[5,6a]Si[3x5])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,2|N<3>,6|C<3>}	C[5,5a](N[5,5a]Si[3x5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){2|H<1>,2|N<3>,3|C<3>}	H(C[5]C[5,5a]N[5,5])	122.8852	0.144	8	122.8852	0.021	8	123.2021	0.286	14	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5]-3:C[5,5a]-3:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,5a]N[5,5a]C[5a])(H)	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]N[5,5])	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]N[5,5])	122.9065	0.016	2	122.9065	0.000	2	123.2021	0.286	14	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5]-3:C[5,5a]-3:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H)	C[5,5a](N[5,5a]Si[4,5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	H(C[5]C[5,5a]N[5,5])	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5a](N[5,5a]Si[4,5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[5,5a]N[5,5])	123.9835	0.223	4	123.9835	0.050	4	123.2021	0.286	14	124.9427	2.722	59	124.7606	2.906	67	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	122.7860	0.000	1	122.7860	0.000	1	122.7860	0.000	1	123.8933	6.329	6	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	H(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]O[5])	127.1205	0.166	2	124.1148	7.544	5	124.1148	7.544	5	123.8933	6.329	6	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	H(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]O[5])	121.9630	0.000	1	124.1148	7.544	5	124.1148	7.544	5	123.8933	6.329	6	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	H(C[5]C[5,6a]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]O[5])	122.1850	0.001	2	124.1148	7.544	5	124.1148	7.544	5	123.8933	6.329	6	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H)	H(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H){1|N<3>,4|C<3>}	H(C[5]C[5,6a]2)	128.5030	0.000	1	128.5030	0.000	1	128.5030	0.000	1	128.5030	0.000	1	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5,6a])	127.5630	0.000	1	127.5630	0.000	1	127.2525	0.193	2	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	H(C[5]C[5,5a]C[5,6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,5a]C[5,6a])	126.9420	0.000	1	126.9420	0.000	1	127.2525	0.193	2	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5,6])	125.7750	0.000	1	125.7750	0.000	1	125.7750	0.000	1	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5,5])	126.1135	0.233	2	126.1093	0.027	3	126.1093	0.027	3	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5,5])	126.1010	0.000	1	126.1093	0.027	3	126.1093	0.027	3	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H){1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6a]C[5,6])	124.3770	0.000	1	124.3770	0.000	1	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]C[5,6a]C[5,6])	124.6560	0.000	1	124.9155	0.076	4	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5,6])	125.2420	0.000	1	124.9155	0.076	4	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5,6])	124.7220	0.000	1	124.9155	0.076	4	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5,6])	125.0420	0.000	1	124.9155	0.076	4	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6])	122.8440	0.000	1	122.9727	0.170	4	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|S<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6])	122.8100	0.000	1	122.9727	0.170	4	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|Se<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|Se<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6])	122.6580	0.000	1	122.9727	0.170	4	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5,6])	123.5790	0.000	1	122.9727	0.170	4	123.9922	1.057	9	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5,6]H)	H(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|Br<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5,6]H){1|C<3>,1|O<2>,4|C<4>}	H(C[5]C[5,6a]C[5,6])	118.7380	8.465	4	118.7380	71.658	4	118.7380	71.658	4	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]2)	128.5220	0.000	1	128.5220	0.000	1	126.8540	1.260	4	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]2)	126.0860	0.000	1	126.0860	0.000	1	126.8540	1.260	4	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[5]C[5,6a]2)	126.4040	0.055	2	126.4040	0.003	2	126.8540	1.260	4	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	H(C[5]C[5,6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]2)	126.3583	1.092	12	126.3583	1.192	12	126.3583	1.192	12	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]P[5,6]Si)(H)	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]P[5,6]Si)(H){1|H<1>,1|P<3>,1|W<6>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,1|P<3>,1|W<6>,2|C<3>}	H(C[5]C[5,6a]C[5])	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(H){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5])	126.5760	0.000	1	126.5760	0.000	1	125.3427	0.678	4	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H){6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5])	124.9115	0.062	2	124.9115	0.004	2	125.3427	0.678	4	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H){6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5])	124.9720	0.000	1	124.9720	0.000	1	125.3427	0.678	4	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5])	125.4180	0.000	1	125.4180	0.000	1	124.9834	2.980	14	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	125.5695	0.077	2	125.5695	0.006	2	124.9834	2.980	14	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	124.6157	2.097	9	124.6157	4.396	9	124.9834	2.980	14	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,1|N<3>,3|C<3>}	H(C[5]C[5,6a]C[5])	125.8350	0.146	2	125.8350	0.021	2	124.9834	2.980	14	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]C)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[5,6a]C[5])	126.8735	0.342	4	126.8735	0.117	4	123.0593	20.925	8	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]S[5]Si)(H)	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]S[5]Si)(H){2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	117.1535	3.498	2	117.1535	12.236	2	123.0593	20.925	8	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]Se[5]Si)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]Se[5]Si)(H){3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	121.3365	0.012	2	121.3365	0.000	2	123.0593	20.925	8	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]C[6a])(H)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	121.1365	0.237	2	121.1365	0.056	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]N)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	125.2990	0.000	1	125.2990	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	124.8770	0.000	1	124.5990	0.155	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	124.1480	0.000	1	124.5990	0.155	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	124.7720	0.000	1	124.5990	0.155	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){3|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.6370	0.795	2	124.6370	0.632	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.7995	0.040	2	124.7995	0.002	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	125.4578	0.321	4	125.4578	0.103	4	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5])	125.2790	0.000	1	125.2790	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5])	124.2830	0.000	1	125.2540	1.886	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5])	126.2250	0.000	1	125.2540	1.886	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5])	126.0695	0.077	2	126.0695	0.006	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	124.3790	0.239	2	124.3790	0.057	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5])	126.3080	0.000	1	126.3080	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5])	125.3453	0.098	3	125.1292	0.193	4	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	124.4810	0.000	1	125.1292	0.193	4	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5])	124.7920	0.000	1	124.7920	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[5,6a]C[5])	124.7740	0.000	1	124.5437	0.192	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]C[5])	124.4285	0.552	2	124.5437	0.192	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	124.9205	0.223	2	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5])	128.2585	0.103	2	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	124.8160	0.000	1	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	125.0170	0.000	1	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.8645	0.209	2	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.6760	0.000	1	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.9070	0.147	4	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5])	126.9380	0.000	1	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	124.5475	0.036	2	125.3911	1.556	16	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	125.0283	0.123	3	125.0283	0.015	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H){4|C<3>}	H(C[5]C[5,6a]C[5])	126.0555	0.013	2	126.0555	0.000	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	124.6850	0.000	2	125.7433	3.360	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|Cr<9>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5])	127.8600	0.000	1	125.7433	3.360	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	125.7680	0.000	1	125.7680	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	125.1810	0.000	1	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5])	122.8130	0.000	1	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[5,6a]C[5])	124.7425	0.069	2	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Cr<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cr<4>,1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	125.6110	0.000	1	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,3|H<1>}	H(C[5]C[5,6a]C[5])	125.2470	0.000	1	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]C[5])	125.7987	0.130	3	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	125.2165	0.153	2	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.0967	1.324	3	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	124.9233	0.036	3	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	H(C[5]C[5,6a]C[5])	124.8540	0.000	1	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Pd<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<4>,1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	125.4690	0.000	1	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Pd<7>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<7>,1|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	125.7260	0.000	1	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,5|H<1>}	H(C[5]C[5,6a]C[5])	126.7110	0.000	1	125.0470	0.854	21	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.2890	0.069	3	125.9146	0.478	19	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.6336	0.052	5	125.9146	0.478	19	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Ir<7>,1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ir<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	H(C[5]C[5,6a]C[5])	125.1150	0.000	1	125.9146	0.478	19	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.9700	0.031	4	125.9146	0.478	19	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Rh<7>,1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	H(C[5]C[5,6a]C[5])	125.2330	0.000	2	125.9146	0.478	19	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Ru<8>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.2205	0.155	4	125.9146	0.478	19	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	127.2120	0.000	1	127.2120	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.1240	0.000	1	126.1240	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[5,6a]C[5])	129.2420	0.000	1	129.2420	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|H<1>,2|P<4>}	H(C[5]C[5,6a]C[5])	126.3200	0.163	2	125.5703	1.699	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	H(C[5]C[5,6a]C[5])	124.0710	0.000	1	125.5703	1.699	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H){1|C<4>,1|P<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	130.8180	0.000	1	130.8180	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|S<2>}	H(C[5]C[5,6a]C[5])	125.0230	0.000	1	125.6700	0.671	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.5910	0.000	1	125.6700	0.671	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|P<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	125.3960	0.000	1	125.6700	0.671	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.2150	0.000	1	124.3523	0.016	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	124.4210	0.061	2	124.3523	0.016	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]S[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	123.2570	0.000	1	123.2570	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5])	123.2200	0.000	1	123.2200	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5])	124.5830	0.000	1	125.1081	0.817	15	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	124.3733	0.073	3	125.1081	0.817	15	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	124.5810	0.000	1	125.1081	0.817	15	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	124.8275	0.221	4	125.1081	0.817	15	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5])	125.0110	0.659	2	125.1081	0.817	15	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	126.2515	1.019	4	125.1081	0.817	15	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,1|P<4>,3|C<3>}	H(C[5]C[5,6a]C[5])	121.6025	0.166	2	121.6025	0.028	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[5,6a]C[5])	121.5290	0.000	1	121.5290	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[5])	121.8320	0.000	1	121.8320	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	121.7910	0.141	4	121.7656	0.037	7	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	122.0320	0.000	1	121.7656	0.037	7	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5])	121.5815	0.144	2	121.7656	0.037	7	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|O<2>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H){1|O<2>,1|S<4>,2|C<3>,2|O<1>}	H(C[5]C[5,6a]C[5])	122.1780	0.000	1	122.1780	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]C[5])	121.8620	0.000	1	121.8620	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Se<2>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5])	123.5135	0.810	2	123.5135	0.656	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	118.5770	0.000	1	118.5770	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[5])	121.0060	0.000	1	121.0060	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	119.4233	1.523	3	119.4233	2.320	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.3700	0.000	1	126.3700	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	127.1030	0.000	1	127.1030	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]C[5])	128.4040	0.000	1	128.4040	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	122.3870	0.011	2	122.1740	0.039	5	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	122.0320	0.051	3	122.1740	0.039	5	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(H){2|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]C[5])	122.4280	0.000	1	122.4280	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]Mn)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]Mn)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	121.0300	0.000	1	121.0300	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]N)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]N)(H){1|H<1>,1|W<6>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,1|W<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	122.3290	0.000	1	122.3290	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5]C[5,6a]C[5])	122.5143	0.437	3	122.5143	0.191	3	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H){1|Rh<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	123.2130	0.000	1	123.2130	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]C[5])	121.6325	0.011	2	121.6325	0.000	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	121.5490	0.000	1	121.5490	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[5]C[5,6a]C[5])	122.8550	0.000	1	122.8550	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]Si)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]Si)(H){1|B<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|B<3>,1|C<3>,2|O<2>}	H(C[5]C[5,6a]C[5])	120.9380	0.000	1	120.9380	0.000	1	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	121.0155	0.179	2	121.0155	0.032	2	124.4902	3.944	167	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5])	124.7870	0.000	1	124.7870	0.000	1	122.6750	3.347	3	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]S[5]Si)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]S[5]Si)(H){2|O<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<2>,2|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	121.6190	0.048	2	121.6190	0.002	2	122.6750	3.347	3	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5,6a]C[5])	126.0520	0.000	1	126.0520	0.000	1	125.5651	3.899	7	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	H(C[5]C[5,6a]C[5])	126.2210	2.482	2	126.2210	6.160	2	125.5651	3.899	7	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5])	125.7120	0.000	1	125.7120	0.000	1	125.5651	3.899	7	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H){1|H<1>,5|C<3>}	H(C[5]C[5,6a]C[5])	121.8010	0.000	1	121.8010	0.000	1	125.5651	3.899	7	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	H(C[5]C[5,6a]C[5])	126.8550	0.000	1	126.4745	0.290	2	125.5651	3.899	7	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[5])	126.0940	0.000	1	126.4745	0.290	2	125.5651	3.899	7	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]B[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	H(C[5]C[5,6a]N[5,6])	125.3345	0.069	2	125.3345	0.005	2	125.3053	0.482	8	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O)	H(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5,6])	126.1890	0.010	2	126.1890	0.000	2	125.3053	0.482	8	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]Ga[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]N[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]Ga[6])(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){2|Ga<4>,1|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5,6])	124.8487	0.568	4	124.8487	0.323	4	125.3053	0.482	8	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	122.6960	0.000	1	123.1781	0.138	11	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5,6a]N[5])	122.3330	0.000	1	123.1781	0.138	11	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]N[5])	123.5505	0.033	2	123.1781	0.138	11	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5])	123.2613	0.136	7	123.1781	0.138	11	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[5]C[5,6a]N[5])	123.0940	0.058	4	123.0940	0.003	4	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]O)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5])	124.9040	0.000	1	124.9040	0.000	1	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	126.7377	0.032	3	126.3852	0.186	9	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[5,6a]N[5])	126.2520	0.950	2	126.3852	0.186	9	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5])	126.1875	0.075	4	126.3852	0.186	9	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){1|Cl<1>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5])	123.2190	0.000	1	123.0847	0.043	13	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5])	123.0737	0.223	11	123.0847	0.043	13	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){2|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Cl<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	123.0710	0.000	1	123.0847	0.043	13	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]N[5])	124.4050	0.000	1	124.4050	0.000	1	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	122.3485	0.091	2	122.3485	0.008	2	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Al)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Al)(H){1|Al<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Al<4>,1|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	125.0550	0.000	1	125.0550	0.000	1	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6a]N[5])	125.1980	0.000	1	125.1980	0.000	1	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5])	126.3800	0.000	1	126.4604	0.033	5	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5])	126.4805	0.205	4	126.4604	0.033	5	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.4995	0.136	4	124.4995	0.019	4	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.7585	0.083	2	124.5637	0.484	6	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5])	124.4663	0.875	4	124.5637	0.484	6	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,1|B<4>,1|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	125.1377	0.258	3	125.0246	0.172	8	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.7365	0.114	4	125.0246	0.172	8	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Fe)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5])	125.8380	0.000	1	125.0246	0.172	8	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|Os<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5])	126.6017	0.090	3	126.3960	0.046	7	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,4|H<1>}	H(C[5]C[5,6a]N[5])	126.2417	0.109	4	126.3960	0.046	7	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H){2|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5])	124.7460	0.000	1	124.7460	0.000	1	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5])	123.9565	0.354	2	123.9565	0.126	2	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(H){1|C<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<10>,1|C<3>,1|C<5>,2|H<1>}	H(C[5]C[5,6a]N[5])	125.1330	0.000	1	125.1210	0.041	7	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5])	125.1190	0.223	6	125.1210	0.041	7	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.9880	0.112	5	124.9880	0.013	5	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.2250	0.000	1	124.8381	0.301	11	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.7025	0.333	2	124.8381	0.301	11	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Re<6>,1|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	125.3672	0.316	4	124.8381	0.301	11	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Re)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5])	124.5300	0.479	4	124.8381	0.301	11	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Rh)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Rh)(H){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<9>,1|B<4>,1|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.8060	0.610	3	124.8060	0.372	3	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.6110	0.000	1	125.7060	4.087	29	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	H(C[5]C[5,6a]N[5])	125.7451	2.047	28	125.7060	4.087	29	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Zn)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Zn<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	124.7800	0.000	1	124.7800	0.000	1	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5])	123.9930	0.220	3	123.9930	0.048	3	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|C<4>}	H(C[5]C[5,6a]N[5])	123.3945	0.350	2	123.3945	0.123	2	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|O<1>,2|H<1>}	H(C[5]C[5,6a]N[5])	123.4370	0.000	1	123.4370	0.000	1	124.8214	2.239	138	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[5,6a]N[5])	127.0613	1.004	3	127.0613	1.008	3	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|C<4>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[5,6a]N[5])	126.5555	0.043	2	126.5555	0.002	2	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,1|S<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[5]C[5,6a]N[5])	126.0857	0.159	3	126.3154	0.033	26	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	126.2950	0.136	16	126.3154	0.033	26	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]N[5])	126.2450	0.045	2	126.3154	0.033	26	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5]C[5,6a]N[5])	126.5466	0.119	5	126.3154	0.033	26	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,3|C<3>}	H(C[5]C[5,6a]N[5])	126.1170	0.000	1	126.1170	0.000	1	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]N[5])	126.7777	0.147	4	126.6378	0.114	5	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[5]C[5,6a]N[5])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[5]C[5,6a]N[5])	126.0780	0.000	1	126.6378	0.114	5	126.4271	0.144	37	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:P[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]H)	H(C[5]C[5,6a]P[5])	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]H){1|Cr<6>,1|C<3>,1|P<4>,2|H<1>}	H(C[5]C[5,6a]P[5])	124.3490	0.000	1	124.3490	0.000	1	124.3490	0.000	1	124.8156	4.304	423	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[5]C[5,6a]C[5,5])	127.7810	0.000	1	127.7810	0.000	1	127.6577	0.013	3	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[5,6a]C[5,5])	127.6350	0.000	1	127.6350	0.000	1	127.6577	0.013	3	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[5]C[5,6a]C[5,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[5,6a]C[5,5])	127.5570	0.000	1	127.5570	0.000	1	127.6577	0.013	3	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	127.4550	0.000	1	127.4550	0.000	1	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[5])	128.0230	0.000	1	127.5670	0.416	2	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[5,6a]C[5])	127.1110	0.000	1	127.5670	0.416	2	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[5]C[5,6a]C[5])	127.6350	0.000	1	127.6350	0.000	1	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H){1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|C<3>,1|S<4>,4|H<1>}	H(C[5]C[5,6a]C[5])	127.7860	0.000	1	127.7860	0.000	1	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ZrH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ZrH)(H){1|C<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Zr<14>,1|C<3>,1|C<5>,3|H<1>}	H(C[5]C[5,6a]C[5])	125.5020	0.000	1	125.5020	0.000	1	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Y<11>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.6375	0.200	2	126.7543	0.061	3	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CY)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Y<12>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.9880	0.000	1	126.7543	0.061	3	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]ErC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]ErC)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Er<15>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.9130	0.000	1	126.9130	0.000	1	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	951	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SmC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SmC)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Sm<12>,1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[5,6a]C[5])	126.6870	0.047	3	126.6870	0.002	3	126.9807	0.428	13	127.1076	0.419	16	124.8937	4.391	446	124.8763	4.193	513
818	727	952	0:SP2_SP2_SP3	C[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S){1|H<1>,1|N<2>,3|C<3>}	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.1430	0.000	1	124.1430	0.000	1	124.1430	0.000	1	123.4603	5.446	6	123.4603	5.446	6	123.4603	5.446	6
818	727	952	0:SP2_SP2_SP3	C[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){2|C<3>,3|H<1>}	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	127.4320	0.000	1	127.4320	0.000	1	123.3238	6.668	5	123.4603	5.446	6	123.4603	5.446	6	123.4603	5.446	6
818	727	952	0:SP2_SP2_SP3	C[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|N<2>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	122.9190	2.005	2	122.2968	1.859	4	123.3238	6.668	5	123.4603	5.446	6	123.4603	5.446	6	123.4603	5.446	6
818	727	952	0:SP2_SP2_SP3	C[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	121.6745	0.077	2	122.2968	1.859	4	123.3238	6.668	5	123.4603	5.446	6	123.4603	5.446	6	123.4603	5.446	6
818	727	955	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	P[5]	3:3:4:	3:3:3:	3:3:3:1:	C[5,6a]-3:C[5,5]-3:P[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|Si<4>,3|H<1>,6|C<3>}	130.7810	0.675	2	130.7810	0.455	2	130.7810	0.455	2	130.7810	0.455	2	132.0795	6.202	4	123.9146	40.468	12
818	727	955	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	P[5]	3:3:4:	3:3:3:	3:3:4:1:	C[5,6a]-3:C[5,5]-3:P[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C-4:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)(O){1|Si<4>,1|H<1>,4|C<3>}	130.9900	0.000	1	130.9900	0.000	1	130.9900	0.000	1	130.9900	0.000	1	132.0795	6.202	4	123.9146	40.468	12
818	727	955	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	P[5]	3:4:3:	3:3:3:	3:3:3:4:	C[5,6a]-3:P[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[5,5]C[5,6a]S[5])	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|S<4>,3|H<1>,6|C<3>}	135.7660	0.000	1	135.7660	0.000	1	135.7660	0.000	1	135.7660	0.000	1	132.0795	6.202	4	123.9146	40.468	12
818	727	955	0:SP2_SP2_SP3	C[5]	C[5a]	P[5]	3:3:4:	3:3:2:	3:3:3:1:	C[5,5]-3:C[5a]-3:P[5]-4:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:C[5]-3:C[6a]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O)	C[5a](C[5]C[5,5]P[5])(C[5a]N[5a]H)(N[5a]N[5a])	P[5](C[5]C[5,5]C[5a])2(C[6a]C[6a]2)(O)	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,5]P[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,4|C<3>}	P[5](C[5]C[5,5]C[5a])2(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	122.7855	0.432	2	122.7855	0.187	2	122.7855	0.187	2	122.7855	0.187	2	119.8321	3.793	8	123.9146	40.468	12
818	727	955	0:SP2_SP2_SP3	C[5]	C[5a]	P[5]	4:3:3:	3:3:2:	3:3:3:1:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:O-1:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|O<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O){1|N<2>,3|H<1>,6|C<3>}	118.6315	1.023	2	118.6315	1.047	2	118.6315	1.047	2	118.3510	0.759	3	119.8321	3.793	8	123.9146	40.468	12
818	727	955	0:SP2_SP2_SP3	C[5]	C[5a]	P[5]	4:3:3:	3:3:2:	3:3:3:1:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:S-1:	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(S)	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(S){1|N<2>,3|H<1>,6|C<3>}	117.7900	0.000	1	117.7900	0.000	1	117.7900	0.000	1	118.3510	0.759	3	119.8321	3.793	8	123.9146	40.468	12
818	727	955	0:SP2_SP2_SP3	C[5]	C[5a]	P[5]	4:3:3:	3:3:3:	3:3:3:1:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:O-1:	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	P[5](C[5,5a]C[5a,5a]C[5,5a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O)	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,6|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	P[5](C[5,5a]C[5a,5a]C[5,5a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O){2|H<1>,2|S<2>,6|C<3>}	119.3130	0.000	1	119.3130	0.000	1	119.2240	0.016	2	119.3443	0.051	3	119.8321	3.793	8	123.9146	40.468	12
818	727	955	0:SP2_SP2_SP3	C[5]	C[5a]	P[5]	4:3:3:	3:3:3:	3:3:3:1:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:O-1:	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	P[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O)	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,6|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	P[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O){1|S<2>,2|H<1>,7|C<3>}	119.1350	0.000	1	119.1350	0.000	1	119.2240	0.016	2	119.3443	0.051	3	119.8321	3.793	8	123.9146	40.468	12
818	727	955	0:SP2_SP2_SP3	C[5]	C[5a]	P[5]	4:3:3:	3:3:3:	3:3:3:1:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-1:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	119.5850	0.000	1	119.5850	0.000	1	119.5850	0.000	1	119.3443	0.051	3	119.8321	3.793	8	123.9146	40.468	12
818	727	955	5:SP2_SP2_SP3	C[5,5]	C[5,6a]	P[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:P[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]P[5])	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]P[5]){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|P<4>,3|H<1>,6|C<3>}	133.5910	0.000	1	133.5910	0.000	1	133.5910	0.000	1	133.5910	0.000	1	133.5910	0.000	1	121.5655	289.225	2
818	727	955	5:SP2_SP2_SP3	C[5]	C[5,6a]	P[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:S-1:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[6a]P[5])	P[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)(S)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[6a]P[5]){1|H<1>,1|S<1>,1|S<2>,7|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)(S){2|H<1>,8|C<3>}	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	121.5655	289.225	2
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,5a]	N	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:N-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N)	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	N(C[5]C[5,6a]N[5])(H)2	123.2370	0.000	1	124.4736	0.948	10	124.4736	0.948	10	125.1272	2.324	13	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N(C[5]C[5,6a]N[5])(H)2	124.8271	0.917	7	124.4736	0.948	10	124.4736	0.948	10	125.1272	2.324	13	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|H<1>,2|C<3>}	N(C[5]C[5,6a]N[5])(H)2	123.4600	0.000	1	124.4736	0.948	10	124.4736	0.948	10	125.1272	2.324	13	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	N(C[5]C[5,6a]N[5])(H)2	124.2490	0.000	1	124.4736	0.948	10	124.4736	0.948	10	125.1272	2.324	13	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(O)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(NOO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<3>}	N(C[5]C[5,6a]N[5])(O)2	127.3060	0.651	3	127.3060	0.424	3	127.3060	0.424	3	125.1272	2.324	13	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[5a]C[5a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5a]H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]N[5])(C[5a]C[5a]2)(H)	119.2760	0.294	2	119.2760	0.087	2	119.2760	0.087	2	120.1434	1.210	7	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	120.8200	0.117	2	120.8200	0.014	2	120.1078	0.712	4	120.1434	1.210	7	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	119.3955	0.305	2	119.3955	0.093	2	120.1078	0.712	4	120.1434	1.210	7	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:N-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:H-1:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC[5a]H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5a]C[5a,6]N[5a])(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC[5a]H){1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	N(C[5a]C[5a,6]N[5a])(C[5]C[5,6a]N[5])(H)	122.0210	0.000	1	122.0210	0.000	1	122.0210	0.000	1	120.1434	1.210	7	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])2(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5]C){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]N[5])2(CCHH)	122.5135	0.373	2	122.5135	0.139	2	122.5135	0.139	2	122.5135	0.139	2	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(CC3)(H)	122.6823	0.614	3	122.6823	0.377	3	122.1020	0.823	5	122.5464	1.199	7	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]N[5])(CCHH)(H)	121.1500	0.000	1	121.1500	0.000	1	122.1020	0.823	5	122.5464	1.199	7	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CC[6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]N[5])(CC[6a]HH)(H)	121.3130	0.000	1	121.3130	0.000	1	122.1020	0.823	5	122.5464	1.199	7	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	123.6575	0.668	2	123.6575	0.447	2	123.6575	0.447	2	122.5464	1.199	7	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:N-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(NC[6a]C[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(NC[6a]C[5])(N[5]S[5]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N(C[5]C[5,6a]N[5])2(C[6a]C[6a]2)	121.5810	0.116	2	121.5810	0.013	2	121.5810	0.013	2	121.5810	0.013	2	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(H)2	121.5480	0.000	1	123.3000	2.306	3	123.3000	2.306	3	123.0617	1.765	4	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,4|H<1>}	N(C[5]C[5,6a]C[5])(H)2	124.1120	0.000	1	123.3000	2.306	3	123.3000	2.306	3	123.0617	1.765	4	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){3|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5])(H)2	124.2400	0.000	1	123.3000	2.306	3	123.3000	2.306	3	123.0617	1.765	4	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NHH){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|Ni<6>,1|C<3>,1|H<1>,2|O<2>}	N(C[5]C[5,6a]N[5])(H)2	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	123.0617	1.765	4	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(NC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(NC)(H)	119.9240	0.000	1	119.9240	0.000	1	119.9240	0.000	1	119.9240	0.000	1	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]2)(C[6]C[6]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]2)(C[6]C[6]2)(O)	125.9560	4.018	2	125.9560	16.143	2	125.9560	16.143	2	125.4768	12.413	10	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	128.1525	1.281	2	128.1525	1.640	2	125.1017	28.743	3	125.4768	12.413	10	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	119.0000	0.000	1	119.0000	0.000	1	125.1017	28.743	3	125.4768	12.413	10	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	130.4490	0.000	1	130.4490	0.000	1	128.4180	8.250	2	125.4768	12.413	10	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	126.3870	0.000	1	126.3870	0.000	1	128.4180	8.250	2	125.4768	12.413	10	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NCH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,5|H<1>}	N(C[5]C[5,6a]N[5])(CNO)(H)	123.6260	0.000	1	123.6260	0.000	1	123.6260	0.000	1	125.4768	12.413	10	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Zn<5>,1|C<3>,1|N<3>,3|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1	125.4768	12.413	10	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	124.1620	0.000	1	124.1620	0.000	1	124.1620	0.000	1	125.4768	12.413	10	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	124.0765	0.151	2	124.0765	0.023	2	123.9823	0.038	3	123.9823	0.038	3	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	123.7940	0.000	1	123.7940	0.000	1	123.9823	0.038	3	123.9823	0.038	3	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	124.0680	0.000	1	124.0680	0.000	1	124.0680	0.000	1	124.0680	0.000	1	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:5:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:In-5:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(InCl3O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(InCl3O)	133.8950	0.000	1	133.8950	0.000	1	133.8950	0.000	1	133.8950	0.000	1	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(CCCH)(H)	119.5010	0.000	1	119.5010	0.000	1	119.4607	0.001	3	120.9258	9.642	5	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(CCHH)(H)	119.4250	0.000	1	119.4405	0.000	2	119.4607	0.001	3	120.9258	9.642	5	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|N<3>,2|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(CCHH)(H)	119.4560	0.000	1	119.4405	0.000	2	119.4607	0.001	3	120.9258	9.642	5	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(CH3)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	N(C[5]C[5,6a]C[5])(CH3)(O)	126.4750	0.000	1	126.4750	0.000	1	126.4750	0.000	1	120.9258	9.642	5	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	120.9258	9.642	5	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP2	C[5]	C[5,6a]	N	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Rh)(NC[6a]B[5])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(B[5]O[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Rh)(NC[6a]B[5]){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(B[5]O[5]2)	126.2500	0.000	1	126.2500	0.000	1	126.2500	0.000	1	126.2500	0.000	1	123.5333	9.455	57	123.4915	9.390	58
818	727	956	0:SP2_SP2_SP3	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	126.2280	0.000	1	126.2280	0.000	1	126.2280	0.000	1	126.2280	0.000	1	123.6668	3.190	4	123.6668	3.190	4
818	727	956	0:SP2_SP2_SP3	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	N(C[5]C[5,6a]C[5])(SC[6a]OO)(H)	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	123.6668	3.190	4	123.6668	3.190	4
818	727	956	0:SP2_SP2_SP3	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,5|H<1>}	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CCHH)	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	122.7520	0.801	2	123.6668	3.190	4	123.6668	3.190	4
818	727	956	0:SP2_SP2_SP3	C[5]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:S-4:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N){3|C<3>,5|H<1>}	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CH3)	123.3850	0.000	1	123.3850	0.000	1	123.3850	0.000	1	122.7520	0.801	2	123.6668	3.190	4	123.6668	3.190	4
818	727	959	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,5]-3:C[5,6a]-3:S[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|C<4>,1|H<1>,4|C<3>}	137.6475	0.424	2	137.6475	0.179	2	137.6475	0.179	2	132.5888	18.486	6	132.5888	18.486	6	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|P<4>,4|C<3>}	131.8650	0.000	1	132.0235	0.050	2	132.0235	0.050	2	132.5888	18.486	6	132.5888	18.486	6	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|P<3>,4|C<3>}	132.1820	0.000	1	132.0235	0.050	2	132.0235	0.050	2	132.5888	18.486	6	132.5888	18.486	6	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|Si<4>,1|H<1>,4|C<3>}	128.1320	0.000	1	128.1320	0.000	1	128.0955	0.003	2	132.5888	18.486	6	132.5888	18.486	6	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:O-1:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O)2{1|Si<4>,1|H<1>,4|C<3>}	128.0590	0.000	1	128.0590	0.000	1	128.0955	0.003	2	132.5888	18.486	6	132.5888	18.486	6	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5,6]	C[5a,6]	S[5]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6]-3:C[5a,6]-3:S[5]-4:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[5,6a]-3:O-1:O-1:	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO)	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H)	S[5](C[5,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)2	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H){1|Ni<4>,1|P<4>,2|O<1>,4|C<3>}	S[5](C[5,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)2{1|H<1>,1|P<4>,4|C<3>}	120.1525	0.292	2	120.1525	0.085	2	120.1525	0.085	2	120.1525	0.085	2	120.1525	0.085	2	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5]	C[5a]	S[5]	3:3:4:	3:3:2:	3:3:1:1:	C[5]-3:C[5a]-3:S[5]-4:	C[5]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a])	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a]){2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,1|N<2>,4|C<3>}	118.9260	0.000	1	118.9260	0.000	1	118.9260	0.000	1	117.8620	1.132	3	118.0807	1.023	10	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5]	C[5a]	S[5]	3:3:4:	3:3:2:	3:3:1:1:	C[5]-3:C[5a]-3:S[5]-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a])	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<4>,5|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,1|S<2>,4|C<3>}	116.7980	0.000	1	116.7980	0.000	1	117.3300	0.566	2	117.8620	1.132	3	118.0807	1.023	10	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5]	C[5a]	S[5]	3:3:4:	3:3:2:	3:3:1:1:	C[5]-3:C[5a]-3:S[5]-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a])	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<2>,5|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,1|S<2>,4|C<3>}	117.8620	0.000	1	117.8620	0.000	1	117.3300	0.566	2	117.8620	1.132	3	118.0807	1.023	10	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5]	C[5a]	S[5]	3:4:3:	3:2:3:	3:3:1:1:	C[5a]-3:S[5]-4:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:O-1:O-1:	C[5](C[5a]C[5a]S[5a])(S[5]C[5,5a]OO)(C[5]C[5,5a]H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[5]C[5]S[5])	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5a]C[5])(O)2	C[5](C[5a]C[5a]S[5a])(S[5]C[5,5a]OO)(C[5]C[5,5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[5]C[5]S[5]){1|H<1>,1|S<2>,2|O<1>,3|C<3>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5a]C[5])(O)2{2|C<3>,2|H<1>,2|S<2>}	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	118.0807	1.023	10	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5]	C[5a]	S[5]	3:4:3:	3:3:2:	3:3:1:1:	C[5a]-3:S[5]-4:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:O-1:O-1:	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	S[5](C[5]C[5a]C[5])2(O)2	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	S[5](C[5]C[5a]C[5])2(O)2{2|C<3>,2|C<4>,2|S<2>}	118.0100	0.566	2	118.0100	0.320	2	118.0100	0.320	2	118.0100	0.320	2	118.0807	1.023	10	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5]	C[5a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5]-3:S[5]-4:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,5|C<3>}	116.4110	0.000	1	118.0665	1.912	4	118.0665	1.912	4	118.0665	1.912	4	118.0807	1.023	10	123.1469	53.601	18
818	727	959	0:SP2_SP2_SP3	C[5]	C[5a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5]-3:S[5]-4:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:O-1:O-1:	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(O)2{1|H<1>,5|C<3>}	118.6183	1.020	3	118.0665	1.912	4	118.0665	1.912	4	118.0665	1.912	4	118.0807	1.023	10	123.1469	53.601	18