818	490	562	0:SP2_SP3_SP3	C[5]	C	Si[5]	3:4:4:	3:4:1:1:	3:3:4:4:	C[5]-3:Si[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH)	C(C[5]Si[5]C[5])(CCHH)(H)2	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH){1|Si<4>,3|C<3>}	C(C[5]Si[5]C[5])(CCHH)(H)2	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2{2|C<3>}	128.8300	0.000	1	128.8300	0.000	1	128.8300	0.000	1	128.8300	0.000	1	125.4115	22.078	4	125.4115	22.078	4
818	490	562	0:SP2_SP3_SP3	C[5]	C	Si[5]	4:3:4:	3:1:1:1:	3:3:3:3:	Si[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3)	C(C[5]Si[5]C[5])(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	C(C[5]Si[5]C[5])(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){6|C<3>,6|H<1>}	127.1620	0.734	2	127.1620	0.539	2	127.1620	0.539	2	127.1620	0.539	2	125.4115	22.078	4	125.4115	22.078	4
818	490	562	0:SP2_SP3_SP3	C[5]	C	Si[5]	4:3:4:	3:4:1:1:	3:3:4:4:	Si[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	Si[5]-3:C[5]-3:C-4:Si-4:	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH)	C(C[5]Si[5]C[5])(CH3)(H)2	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(CSiHH)(SiC3)	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH){2|Si<4>}	C(C[5]Si[5]C[5])(CH3)(H)2	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(CSiHH)(SiC3){1|Si<4>,1|C<4>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	125.4115	22.078	4	125.4115	22.078	4
818	490	606	0:SP2_SP3_SP3	C[5]	C	Ge[5]	4:3:4:	3:1:1:1:	3:2:4:4:	Ge[5]-4:P[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-2:C-4:C-4:	C[5](Ge[5]P[5]CC)(P[5]C[5]W)(CH3)	C(C[5]Ge[5]P[5])(H)3	Ge[5](C[5]P[5]C)(P[5]C[5])(CSi2H)2	C[5](Ge[5]P[5]CC)(P[5]C[5]W)(CH3){1|C<4>}	C(C[5]Ge[5]P[5])(H)3	Ge[5](C[5]P[5]C)(P[5]C[5])(CSi2H)2{1|C<4>,1|W<6>}	125.0230	0.000	1	125.0230	0.000	1	125.0230	0.000	1	125.0230	0.000	1	123.6325	3.867	2	123.6325	3.867	2
818	490	606	0:SP2_SP3_SP3	C[5]	C	Ge[5]	4:3:4:	3:1:1:1:	3:3:4:4:	Ge[5]-4:P[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-4:C-4:	C[5](Ge[5]P[5]CC)(P[5]C[5]W)(CH3)	C(C[5]Ge[5]P[5])(H)3	Ge[5](C[5]P[5]C)(P[5]C[5]W)(CSi2H)2	C[5](Ge[5]P[5]CC)(P[5]C[5]W)(CH3){1|C<4>,1|W<6>}	C(C[5]Ge[5]P[5])(H)3	Ge[5](C[5]P[5]C)(P[5]C[5]W)(CSi2H)2{1|C<4>,1|W<6>}	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	123.6325	3.867	2	123.6325	3.867	2
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3)	C(C[5]C[5,5a]C[5,6])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5a]C[5,6])(H)3	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	124.2510	0.000	1	124.2510	0.000	1	124.2510	0.000	1	123.3937	1.155	3	125.2687	7.543	6	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3)	C(C[5]C[5,5a]C[5])(H)3	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,5a]C[5])(H)3	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|H<1>,4|C<3>}	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	123.3937	1.155	3	125.2687	7.543	6	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3)	C(C[5]C[5,5a]C[5])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]C[5])(H)3	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	123.7420	0.000	1	123.7420	0.000	1	123.7420	0.000	1	123.3937	1.155	3	125.2687	7.543	6	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH)	C(C[5]C[5,5a]C[5])(COO)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5a]C[5])(COO)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C){2|C<3>,3|H<1>}	128.1630	0.000	1	128.1630	0.000	1	128.1630	0.000	1	128.1630	0.000	1	125.2687	7.543	6	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5,6]-3:C-4:	C[5]-3:Si-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH)	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	126.6340	12.751	2	125.2687	7.543	6	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,4|C<3>}	129.1590	0.000	1	129.1590	0.000	1	129.1590	0.000	1	126.6340	12.751	2	125.2687	7.543	6	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)	C(C[5]C[5,6a]O[5])(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3){1|H<1>,4|C<3>}	C(C[5]C[5,6a]O[5])(H)3	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|N<3>,3|C<3>}	127.1150	0.000	1	127.1150	0.000	1	127.1150	0.000	1	130.1567	8.914	3	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3)	C(C[5]C[5,6a]Se[5])(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3){1|C<4>,3|C<3>}	C(C[5]C[5,6a]Se[5])(H)3	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C){1|C<4>,1|H<1>,4|C<3>}	131.6775	1.988	2	131.6775	3.951	2	131.6775	3.951	2	130.1567	8.914	3	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	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>}	122.3610	0.000	1	122.3610	0.000	1	122.3610	0.000	1	130.0272	19.012	5	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH)	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C){1|C<4>,1|H<1>,4|C<3>}	131.9437	0.928	4	131.9437	0.861	4	131.9437	0.861	4	130.0272	19.012	5	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5,6a]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C(C[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,5|C<3>}	C(C[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	121.9730	0.000	1	121.9730	0.000	1	121.9730	0.000	1	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C(C[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	122.4006	0.231	5	122.4006	0.053	5	122.4006	0.053	5	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)	C(C[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:Br-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH)	C(C[5]C[5,6a]C[5])(Br)(H)2	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(Br)(H)2	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	C(C[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	123.3605	0.723	2	123.3605	0.523	2	124.5343	0.755	7	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3)	C(C[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(F)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>}	125.0038	0.194	5	125.0038	0.038	5	124.5343	0.755	7	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.8520	0.000	1	123.2423	0.126	3	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	123.3310	0.000	1	123.2423	0.126	3	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|H<1>,1|N<3>,5|C<3>}	C(C[5]C[5,6a]C[5])(H)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>,2|H<1>,3|C<3>}	123.5440	0.000	1	123.2423	0.126	3	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	120.9587	0.533	3	120.9587	0.284	3	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Al<5>,1|Si<5>,1|C<3>,3|C<4>}	127.4470	0.632	2	127.0734	0.346	5	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	126.8243	0.509	3	127.0734	0.346	5	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(H)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>}	123.0540	0.000	1	122.7640	0.064	3	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	122.6470	0.000	1	122.7640	0.064	3	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(H)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>,3|H<1>}	122.5910	0.000	1	122.7640	0.064	3	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(H)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|C<4>,1|S<4>,3|H<1>}	122.0080	0.000	1	122.0080	0.000	1	123.8847	6.242	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	122.6710	0.000	1	122.6710	0.000	1	121.8815	1.247	2	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|O<1>}	121.0920	0.000	1	121.0920	0.000	1	121.8815	1.247	2	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CF3)	C(C[5]C[5,6a]N[5])(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CF3){1|B<4>,1|F<1>,2|C<3>}	C(C[5]C[5,6a]N[5])(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C){1|Cu<4>,1|B<4>,1|C<3>,2|F<1>}	126.7947	0.947	3	126.7947	0.898	3	126.7947	0.898	3	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3)	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	121.0990	0.478	2	121.4675	0.269	4	120.0064	9.101	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3)	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3){1|Ge<3>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Ge<3>,1|H<1>,1|O<2>,2|C<3>}	121.8360	0.185	2	121.4675	0.269	4	120.0064	9.101	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(CH3)	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Pd)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C){1|Pd<4>,3|C<3>}	128.5070	0.000	1	128.5070	0.000	1	120.0064	9.101	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[3,5,5]C[6a])(CH3)	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[3,5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|H<2>,1|N<2>,1|N<3>,5|C<3>}	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|H<1>,1|H<2>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	118.6960	0.608	2	118.6960	0.370	2	120.0064	9.101	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3)	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	116.0585	0.521	2	116.0585	0.272	2	120.0064	9.101	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3)	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	119.4582	1.622	4	119.3683	1.625	6	120.0064	9.101	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3)	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>,5|C<3>}	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,1|N<3>,2|O<2>,3|C<3>}	119.1885	0.366	2	119.3683	1.625	6	120.0064	9.101	15	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]H)(CH3)	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Fe<5>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]N[5])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Fe<5>,1|C<3>,3|H<1>}	130.6980	0.000	1	130.6980	0.000	1	130.6980	0.000	1	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C(C[5]N[5,6,6]C[5,6a])(H)3	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3){2|Cl<1>,1|B<4>,1|H<1>,2|N<3>,4|C<3>}	C(C[5]N[5,6,6]C[5,6a])(H)3	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H){1|Nb<7>,1|B<4>,1|C<3>,2|H<1>}	125.9010	0.402	3	125.9010	0.161	3	125.9010	0.161	3	122.9320	9.956	54	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]C){7|C<3>}	126.5380	0.000	1	126.5380	0.000	1	126.5380	0.000	1	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5]-3:C[5]-3:F-1:F-1:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	125.9635	0.218	2	125.9635	0.048	2	125.9635	0.048	2	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(COO)(H)2	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>}	122.4230	0.000	1	122.8455	0.357	2	123.1038	0.523	5	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(COO)(H)2	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>,1|O<2>,3|H<1>}	123.2680	0.000	1	122.8455	0.357	2	123.1038	0.523	5	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)	C(C[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH){1|C<2>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(H)2	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<2>,1|C<3>,2|H<1>}	122.8115	0.466	2	122.8115	0.217	2	123.1038	0.523	5	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(COO)(H)2	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>}	124.2050	0.000	1	124.2050	0.000	1	123.1038	0.523	5	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C){1|C<4>,6|C<3>}	126.7955	0.655	2	126.7955	0.430	2	126.7955	0.430	2	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	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>}	123.0110	0.000	1	123.0110	0.000	1	123.0110	0.000	1	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	123.6680	0.497	4	123.6680	0.247	4	123.6680	0.247	4	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|P<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	123.3300	0.000	1	123.3300	0.000	1	123.4795	0.039	4	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	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>}	123.3100	0.000	1	123.3100	0.000	1	123.4795	0.039	4	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	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>}	123.6390	0.120	2	123.6390	0.014	2	123.4795	0.039	4	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN)	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(NCS)(H)2	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>,4|H<1>}	123.9970	0.000	1	123.9970	0.000	1	124.5925	0.709	2	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN)	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(NCS)(H)2	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>}	125.1880	0.000	1	125.1880	0.000	1	124.5925	0.709	2	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	130.8990	0.000	1	130.8990	0.000	1	130.8990	0.000	1	124.5256	3.776	23	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH)	C(C[5]C[5,6a]C[5])(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH){1|P<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(COO)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	124.4550	0.000	1	124.4550	0.000	1	124.4550	0.000	1	125.8055	3.648	2	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(NCH)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN){1|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(NCH)(H)	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>}	127.1560	0.000	1	127.1560	0.000	1	127.1560	0.000	1	125.8055	3.648	2	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO)	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	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>}	125.0270	0.000	1	125.0270	0.000	1	125.0270	0.000	1	125.0270	0.000	1	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	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>}	129.3060	0.000	1	129.3060	0.000	1	129.3060	0.000	1	129.3060	0.000	1	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	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>}	123.5400	0.000	1	123.5400	0.000	1	123.5400	0.000	1	123.5400	0.000	1	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH)	C(C[5]C[5,6a]N[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	C(C[5]C[5,6a]N[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.8840	0.000	1	127.8840	0.000	1	127.8840	0.000	1	127.8840	0.000	1	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-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])(CCHH)	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	124.2200	0.000	1	124.2200	0.000	1	124.2200	0.000	1	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH)	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH){5|C<3>}	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|S<2>,2|H<1>,4|C<3>}	127.2345	3.533	2	127.2345	12.485	2	129.8130	20.070	4	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH)	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH){5|C<3>}	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|Se<2>,2|H<1>,4|C<3>}	132.3915	4.597	2	132.3915	21.132	2	129.8130	20.070	4	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CCHH)	C(C[5]C[5,6a]2)(CCHH)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CCHH){6|C<3>}	C(C[5]C[5,6a]2)(CCHH)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	125.6995	1.303	2	125.6995	1.698	2	125.6995	1.698	2	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	131.8910	0.000	1	131.8910	0.000	1	131.8910	0.000	1	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	123.8960	0.000	1	123.8960	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	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>,1|F<1>,1|H<1>,1|O<1>}	122.0930	0.000	1	122.0930	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	126.0100	0.758	2	126.0100	0.575	2	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	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>}	122.1090	0.000	1	122.1090	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CHHN)(H)2	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>}	123.0730	0.710	3	123.0730	0.505	3	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CHHP)(H)2	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>}	122.2570	0.000	1	122.2570	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C(C[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CHHO)(H)2	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>,1|O<2>,3|H<1>}	120.1380	0.000	1	120.1380	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C(C[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	121.4630	0.322	2	121.4630	0.104	2	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.0000	0.000	1	119.0000	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCHN)(H)2	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>}	125.1500	0.000	1	125.1500	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CHHN)(H)2	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>,2|H<1>}	126.1100	0.000	1	126.1100	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	127.5670	0.000	1	127.5670	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH){1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.4610	0.000	1	120.4610	0.000	1	123.1145	5.818	17	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,3|H<1>}	133.1620	0.000	1	133.1620	0.000	1	133.1620	0.000	1	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|O<1>,3|H<1>}	120.9865	0.971	2	120.9865	0.943	2	120.9865	0.943	2	124.8158	16.889	28	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH)	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	126.8605	0.559	4	126.8605	0.312	4	126.8605	0.312	4	126.8605	0.312	4	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH)	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH){1|B<4>,1|O<3>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,3|H<1>}	125.8500	0.000	1	125.8500	0.000	1	125.8500	0.000	1	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	123.4395	0.221	2	123.4395	0.049	2	124.4835	2.949	6	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<3>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,1|C<3>,3|H<1>}	124.0700	0.000	1	124.0480	0.213	3	124.4835	2.949	6	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,4|H<1>}	124.4980	0.000	1	124.0480	0.213	3	124.4835	2.949	6	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|Ru<6>,1|C<5>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ru<6>,1|C<3>,1|C<5>,3|H<1>}	123.5760	0.000	1	124.0480	0.213	3	124.4835	2.949	6	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	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>}	127.8780	0.000	1	127.8780	0.000	1	124.4835	2.949	6	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|H<1>,1|N<2>,4|C<3>}	127.6040	0.000	1	127.3515	0.128	2	128.4180	3.476	3	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,4|C<3>}	127.0990	0.000	1	127.3515	0.128	2	128.4180	3.476	3	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH){3|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	130.5510	0.000	1	130.5510	0.000	1	128.4180	3.476	3	125.8005	5.851	10	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3)	C(C[5]C[5,6a]C[5,5])(CH3)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5,5])(CH3)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	122.8920	0.000	1	122.8920	0.000	1	122.8920	0.000	1	122.4570	0.378	2	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3)	C(C[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	122.4570	0.378	2	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	124.8680	0.000	1	124.8680	0.000	1	124.8680	0.000	1	124.8680	0.000	1	124.4208	13.053	137	124.4564	12.796	143
818	490	727	0:SP2_SP2_SP3	C[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5,6a]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Si<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C(C[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<6>,3|H<1>}	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	124.4208	13.053	137	124.4564	12.796	143
818	490	742	0:SP2_SP3_SP3	C[5]	C	B[4,5]	4:3:4:	3:4:4:4:	3:3:3:2:	B[4,5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	N[4]-3:N[5]-3:C[5]-3:O[4]-2:	C[5](B[4,5]N[4]N[5]O[4])(C[5]C[5]H)(CC3)	C(C[5]B[4,5]C[5])(CH3)3	B[4,5](N[4]C[6a]C[4])(N[5]C[6a]C[5])(C[5]C[5]C)(O[4]C[4])	C[5](B[4,5]N[4]N[5]O[4])(C[5]C[5]H)(CC3){1|C<4>,3|C<3>}	C(C[5]B[4,5]C[5])(CH3)3	B[4,5](N[4]C[6a]C[4])(N[5]C[6a]C[5])(C[5]C[5]C)(O[4]C[4]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	128.9020	0.000	1	128.9020	0.000	1	128.9020	0.000	1	128.9020	0.000	1	128.9020	0.000	1	128.9020	0.000	1
818	490	786	0:SP2_SP3_SP3	C[5]	C	B[5]	4:3:4:	3:1:1:1:	4:3:3:3:	B[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3)	C(C[5]B[5]C[5])(H)3	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3){1|C<4>,2|H<1>,7|C<3>}	C(C[5]B[5]C[5])(H)3	B[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]C){1|C<4>,2|H<1>,4|F<1>,6|C<3>}	123.1435	0.218	2	123.1435	0.048	2	123.1435	0.048	2	123.1435	0.048	2	121.3121	1.578	8	121.3121	1.578	8
818	490	786	0:SP2_SP3_SP3	C[5]	C	B[5]	4:3:4:	3:4:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH)	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N)	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH){1|N<2>,6|C<3>}	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N){1|Si<4>,4|F<1>,6|C<3>}	120.3270	0.000	1	120.3270	0.000	1	119.9760	0.246	2	120.7017	0.410	6	121.3121	1.578	8	121.3121	1.578	8
818	490	786	0:SP2_SP3_SP3	C[5]	C	B[5]	4:3:4:	3:4:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH)	C(C[5]B[5]C[5])(CHHP)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N)	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH){1|N<2>,6|C<3>}	C(C[5]B[5]C[5])(CHHP)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N){1|Si<4>,4|F<1>,6|C<3>}	119.6250	0.000	1	119.6250	0.000	1	119.9760	0.246	2	120.7017	0.410	6	121.3121	1.578	8	121.3121	1.578	8
818	490	786	0:SP2_SP3_SP3	C[5]	C	B[5]	4:3:4:	3:4:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH)	C(C[5]B[5]C[5])(CHHP)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O)	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH){1|O<1>,6|C<3>}	C(C[5]B[5]C[5])(CHHP)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O){1|Si<4>,4|F<1>,6|C<3>}	121.1685	0.407	2	121.0645	0.075	4	121.0645	0.075	4	120.7017	0.410	6	121.3121	1.578	8	121.3121	1.578	8
818	490	786	0:SP2_SP3_SP3	C[5]	C	B[5]	4:3:4:	3:4:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH)	C(C[5]B[5]C[5])(CHHP)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O)	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH){1|O<2>,6|C<3>}	C(C[5]B[5]C[5])(CHHP)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]O){1|Si<4>,4|F<1>,6|C<3>}	120.9605	0.128	2	121.0645	0.075	4	121.0645	0.075	4	120.7017	0.410	6	121.3121	1.578	8	121.3121	1.578	8
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3)	C(C[5]N[5,5a]C[5])(H)3	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	C(C[5]N[5,5a]C[5])(H)3	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|F<1>}	122.9155	0.288	2	122.9155	0.083	2	122.9155	0.083	2	122.9155	0.083	2	123.2955	3.000	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,5a]	3:3:4:	3:1:1:1:	3:4:3:	N[5,5a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5a]-3:B[5a]-4:C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3)	C(C[5]N[5,5a]C[5])(H)3	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	C(C[5]N[5,5a]C[5])(H)3	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.5950	0.431	2	121.5950	0.186	2	121.5950	0.186	2	121.5950	0.186	2	123.2955	3.000	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,5a]	3:3:4:	3:4:4:4:	3:3:3:	N[5,5a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3)	C(C[5]N[5,5a]C[5])(CH3)3	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<1>,1|O<2>}	C(C[5]N[5,5a]C[5])(CH3)3	N[5,5a](N[5,5a]B[5a]C[5])(C[5a]O[5a]O)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	125.3930	0.000	1	125.3930	0.000	1	125.3930	0.000	1	125.3930	0.000	1	123.2955	3.000	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,5a]	3:3:4:	3:4:4:4:	4:3:3:	N[5,5a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	B[5a]-4:N[5,5a]-3:C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC3)	C(C[5]N[5,5a]C[5])(CH3)3	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC3){1|C<4>,1|O<2>,3|C<3>}	C(C[5]N[5,5a]C[5])(CH3)3	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	125.3590	0.000	1	125.3590	0.000	1	125.3590	0.000	1	125.3590	0.000	1	123.2955	3.000	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6,6a]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3)	C(C[5]N[5,6,6a]C[5])(F)3	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]N[5,6,6a]C[5])(F)3	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.6305	0.968	2	121.6305	0.937	2	121.6305	0.937	2	122.2065	0.820	4	123.1447	2.611	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,6,6a]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6a]C[5])(H)3	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]N[5,6,6a]C[5])(H)3	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.7825	0.442	2	122.7825	0.195	2	122.7825	0.195	2	122.2065	0.820	4	123.1447	2.611	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,6,6a]	3:3:4:	3:4:4:4:	4:3:3:	N[5,6,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3)	C(C[5]N[5,6,6a]C[5])(CH3)3	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]N[5,6,6a]C[5])(CH3)3	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.0210	0.182	2	125.0210	0.033	2	125.0210	0.033	2	125.0210	0.033	2	123.1447	2.611	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C(C[5]N[5,6a]C[5])(H)3	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]N[5,6a]C[5])(H)3	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	120.3610	0.000	1	120.3610	0.000	1	120.3610	0.000	1	121.9278	4.991	5	122.2360	4.562	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3)	C(C[5]N[5,6a]C[5])(H)3	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3){3|C<3>}	C(C[5]N[5,6a]C[5])(H)3	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	124.3595	0.445	2	124.3595	0.198	2	124.3595	0.198	2	121.9278	4.991	5	122.2360	4.562	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]N[5,6a]C[5])(H)3	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C)	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5,6a]C[5])(H)3	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	120.2795	0.223	2	120.2795	0.050	2	120.2795	0.050	2	121.9278	4.991	5	122.2360	4.562	6	122.8921	3.224	18
818	490	813	0:SP2_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	122.2360	4.562	6	122.8921	3.224	18
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:	3:1:1:1:	4:3:4:	C[5,6,6]-3:C[5,5,6]-4:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3)	C(C[5,6]C[5,5,6]C[5,6,6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6,6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO){1|C<3>,3|H<1>,5|C<4>}	131.9350	0.000	1	131.9350	0.000	1	131.9350	0.000	1	131.9350	0.000	1	131.9350	0.000	1	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:	3:4:2:1:	4:3:3:	P[5,5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	126.5020	0.460	2	126.5020	0.211	2	126.5020	0.211	2	126.5020	0.211	2	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:	3:4:4:4:	4:3:4:	P[4,5,5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	P[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](P[4,5,5,6]C[4,4,5,5]P[3,4,5,6])(C[5,6]P[4,5,5,6]C)(CC3)	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	C[5,6](P[4,5,5,6]C[3,4,5,6]C[4,4,5,5]H)(C[5,6]P[4,5,5,6]C)(CC3)	C[5,6](P[4,5,5,6]C[4,4,5,5]P[3,4,5,6])(C[5,6]P[4,5,5,6]C)(CC3){1|H<1>,1|P<3>,2|C<4>}	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	C[5,6](P[4,5,5,6]C[3,4,5,6]C[4,4,5,5]H)(C[5,6]P[4,5,5,6]C)(CC3){2|C<4>,2|P<3>}	135.0030	0.000	1	135.0030	0.000	1	135.0030	0.000	1	135.0030	0.000	1	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	P[5,5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){2|H<1>,4|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	127.4400	0.713	2	127.4400	0.508	2	127.4400	0.508	2	127.4400	0.508	2	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3)	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3){1|C<3>,1|O<2>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H){1|C<3>,3|C<4>}	126.2625	1.238	2	126.2625	1.533	2	126.2625	1.533	2	128.0733	6.298	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){2|H<1>,4|C<4>}	125.8585	0.528	2	125.8585	0.279	2	129.0250	5.502	7	128.0733	6.298	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){2|H<1>,4|C<4>}	128.6320	0.000	1	128.6320	0.000	1	129.0250	5.502	7	128.0733	6.298	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,2|C<4>}	130.2270	0.287	2	130.2270	0.082	2	129.0250	5.502	7	128.0733	6.298	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|H<1>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	130.8610	0.000	1	130.8610	0.000	1	129.0250	5.502	7	128.0733	6.298	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3){1|C<4>,1|H<1>,2|F<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	131.5110	0.000	1	131.5110	0.000	1	129.0250	5.502	7	128.0733	6.298	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	P[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3){1|S<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(H){3|C<4>,3|H<1>}	125.0330	0.000	1	125.0330	0.000	1	125.0330	0.000	1	128.0733	6.298	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3){4|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO){1|C<3>,1|C<4>,2|H<1>}	133.0850	0.124	2	133.0850	0.015	2	133.0850	0.015	2	128.6232	6.219	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3){1|C<4>,1|O<1>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS){1|C<4>,1|O<1>,3|H<1>}	128.7880	0.539	2	128.7880	0.290	2	128.7880	0.290	2	128.6232	6.219	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5,6]C[5,5]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]N[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5,6]C[5,5]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]N[6a]){2|C<3>,3|C<4>,4|H<1>}	126.3590	0.000	1	126.3590	0.000	1	127.0810	0.306	6	128.6232	6.219	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Pd<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	127.4595	0.127	2	127.4595	0.016	2	127.0810	0.306	6	128.6232	6.219	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Rh<6>,2|H<1>,4|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	127.4055	0.159	2	127.4055	0.025	2	127.0810	0.306	6	128.6232	6.219	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	126.3970	0.000	1	126.3970	0.000	1	127.0810	0.306	6	128.6232	6.219	10	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3)	C(C[5,6]C[3,5,6]C[5,6])(H)3	C[5,6](C[4,5,6]C[3,4,5]P[4,6]C)(C[5,6]C[3,5,6]C)(CH3)	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3){1|P<4>,1|W<6>,2|C<4>}	C(C[5,6]C[3,5,6]C[5,6])(H)3	C[5,6](C[4,5,6]C[3,4,5]P[4,6]C)(C[5,6]C[3,5,6]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	128.4660	0.000	1	128.4660	0.000	1	128.2290	0.112	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3)	C(C[5,6]C[3,5,6]C[5,6])(H)3	C[5,6](C[4,5,6]C[3,4,5]Si[4,6]C)(C[5,6]C[3,5,6]C)(CH3)	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3){1|Si<4>,1|N<3>,2|C<4>}	C(C[5,6]C[3,5,6]C[5,6])(H)3	C[5,6](C[4,5,6]C[3,4,5]Si[4,6]C)(C[5,6]C[3,5,6]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	127.9920	0.000	1	127.9920	0.000	1	128.2290	0.112	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|C<3>,1|H<1>,1|P<3>,1|P<4>,2|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,3|C<4>}	128.8580	0.000	1	129.6625	1.294	2	129.6625	1.294	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,3|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|C<3>,1|H<1>,1|P<3>,1|P<4>,2|C<4>}	130.4670	0.000	1	129.6625	1.294	2	129.6625	1.294	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	130.1080	0.000	1	130.1080	0.000	1	129.4640	0.829	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]P[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,1|W<6>,2|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]P[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3){1|P<3>,1|P<4>,1|W<6>,2|C<4>}	128.8200	0.000	1	128.8200	0.000	1	129.4640	0.829	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	128.0130	0.000	1	126.9693	3.531	3	126.9693	3.531	3	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	128.0950	0.000	1	126.9693	3.531	3	126.9693	3.531	3	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	124.8000	0.000	1	126.9693	3.531	3	126.9693	3.531	3	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	128.2110	0.000	1	128.2525	0.003	2	128.2525	0.003	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|S<1>,2|C<4>,3|H<1>}	128.2940	0.000	1	128.2525	0.003	2	128.2525	0.003	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[4,5,5,6]C[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[5,6](C[4,5,5,6]C[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	127.8330	0.000	1	127.8330	0.000	1	128.3425	0.519	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[4,5,5,6]P[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[5,6](C[4,5,5,6]P[4,5,5,6]C[4,3x5]C)(C[5,6]C[3x5,6]C)(CH3){1|P<3>,1|P<4>,1|W<6>,2|C<4>}	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,1|W<6>,2|C<4>}	128.8520	0.000	1	128.8520	0.000	1	128.3425	0.519	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	129.5580	0.137	2	129.1240	0.349	4	129.1240	0.349	4	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3)	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C(C[5,6]C[4,5,5,6]C[5,6])(H)3	C[5,6](C[4,5,5,6]C[3,4,5,6]C[4,4,5,5]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	128.6900	0.523	2	129.1240	0.349	4	129.1240	0.349	4	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[4,5,6]C[3,4,5]P[4,6]C)(C[5,6]C[3,5,6]C)(CH3)	C(C[5,6]C[4,5,6]C[5,6])(H)3	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3)	C[5,6](C[4,5,6]C[3,4,5]P[4,6]C)(C[5,6]C[3,5,6]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	C(C[5,6]C[4,5,6]C[5,6])(H)3	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3){1|P<4>,1|W<6>,2|C<4>}	128.0120	0.000	1	128.0120	0.000	1	127.7770	0.110	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[4,5,6]C[3,4,5]Si[4,6]C)(C[5,6]C[3,5,6]C)(CH3)	C(C[5,6]C[4,5,6]C[5,6])(H)3	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3)	C[5,6](C[4,5,6]C[3,4,5]Si[4,6]C)(C[5,6]C[3,5,6]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	C(C[5,6]C[4,5,6]C[5,6])(H)3	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3){1|Si<4>,1|N<3>,2|C<4>}	127.5420	0.000	1	127.5420	0.000	1	127.7770	0.110	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	128.5440	0.000	1	128.9407	0.753	3	128.9407	0.753	3	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	128.3420	0.000	1	128.9407	0.753	3	128.9407	0.753	3	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	129.9360	0.000	1	128.9407	0.753	3	128.9407	0.753	3	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	129.6120	1.656	3	129.9565	2.303	4	129.9565	2.303	4	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|S<2>,2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	130.9900	0.000	1	129.9565	2.303	4	129.9565	2.303	4	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	127.9930	0.000	1	128.6295	0.810	2	128.6295	0.810	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|S<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	129.2660	0.000	1	128.6295	0.810	2	128.6295	0.810	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|P<4>,4|C<4>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|H<1>,1|P<4>,4|C<4>}	130.1420	0.000	1	129.3995	1.103	2	129.3995	1.103	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|H<1>,1|P<4>,4|C<4>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|P<4>,4|C<4>}	128.6570	0.000	1	129.3995	1.103	2	129.3995	1.103	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	128.2550	0.000	1	128.2550	0.000	1	128.2550	0.000	1	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:Cl-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH)	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH){4|Cl<1>,1|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH){4|Cl<1>,1|C<3>}	129.7080	0.402	2	129.7080	0.161	2	129.7080	0.161	2	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	130.6817	0.291	3	130.6955	0.057	4	130.6955	0.057	4	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:F-1:F-1:F-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|S<2>,2|C<4>,4|H<1>}	130.7370	0.000	1	130.6955	0.057	4	130.6955	0.057	4	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|C<4>}	129.3910	0.000	1	129.3910	0.000	1	129.3910	0.000	1	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	128.7512	0.765	4	128.1981	0.499	16	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	128.0585	0.021	2	128.1981	0.499	16	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	127.9630	0.000	1	128.1981	0.499	16	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	128.4795	0.354	4	128.1981	0.499	16	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	128.0560	1.039	2	128.1981	0.499	16	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	127.1500	0.000	1	128.1981	0.499	16	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	127.8960	0.000	1	128.1981	0.499	16	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	127.0090	0.000	1	128.1981	0.499	16	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,2|C<4>,2|P<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|As<3>,1|W<6>,2|C<4>,2|H<1>}	128.0630	0.000	1	128.0630	0.000	1	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,3|C<4>}	126.0330	0.139	2	126.0330	0.019	2	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	128.7040	0.684	2	128.8050	0.265	3	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	129.0070	0.000	1	128.8050	0.265	3	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	129.5383	0.117	3	129.5383	0.014	3	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	130.6240	0.000	1	130.6240	0.000	1	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	128.8330	0.000	1	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|S<1>,2|C<4>}	127.8460	0.000	1	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	127.7080	0.000	1	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	128.7930	0.160	2	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	128.2630	0.000	1	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	128.7510	1.170	2	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	128.7900	0.000	1	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|H<1>,2|C<3>,2|C<4>}	129.5290	0.000	1	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	128.6315	1.044	2	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	129.1080	0.000	1	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|H<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	129.0540	0.000	1	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	127.7945	0.491	2	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	128.3470	0.228	2	128.5425	0.421	18	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	129.4435	0.561	4	129.1636	0.147	20	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	129.2140	0.362	8	129.1636	0.147	20	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	128.9731	0.211	8	129.1636	0.147	20	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	128.9965	0.158	2	129.4123	0.531	3	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	130.2440	0.000	1	129.4123	0.531	3	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|N<3>,3|C<4>}	129.1060	0.190	2	129.1060	0.036	2	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|N<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<2>,3|C<4>}	129.2895	0.019	2	129.2895	0.000	2	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|As<3>,1|W<6>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,2|C<4>,2|P<4>}	128.2440	0.000	1	128.2440	0.000	1	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<2>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<2>,3|H<1>}	130.3590	0.000	1	130.3590	0.000	1	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	130.1830	0.000	1	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	128.8560	0.000	1	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	129.3710	0.000	1	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	128.6282	0.409	5	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	129.8380	0.000	1	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	128.4782	0.323	5	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	129.7160	0.666	5	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	129.2170	1.260	5	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	129.3620	0.000	1	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	128.5730	0.000	1	129.0915	0.657	26	128.8283	0.741	99	128.8862	0.977	137	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:3:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|O<2>,2|H<1>,3|C<4>}	128.6480	0.000	1	128.6480	0.000	1	128.7500	0.060	3	128.7500	0.060	3	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:3:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	128.5730	0.000	1	128.8010	0.104	2	128.7500	0.060	3	128.7500	0.060	3	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:3:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	129.0290	0.000	1	128.8010	0.104	2	128.7500	0.060	3	128.7500	0.060	3	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:3:3:2:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	129.5810	0.000	1	129.5810	0.000	1	129.5810	0.000	1	129.5810	0.000	1	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH){1|Si<4>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	127.9550	0.000	1	127.9550	0.000	1	127.9550	0.000	1	127.9550	0.000	1	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|B<3>,1|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){2|C<3>,3|C<4>}	125.0710	0.000	1	124.4570	0.754	2	124.3077	0.444	3	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){2|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|B<3>,1|C<3>,3|C<4>}	123.8430	0.000	1	124.4570	0.754	2	124.3077	0.444	3	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	124.0090	0.000	1	124.0090	0.000	1	124.3077	0.444	3	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:S-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH){5|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(SC[6a]OO){5|C<3>}	131.3230	0.000	1	131.3230	0.000	1	131.3230	0.000	1	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH){2|C<4>,4|H<1>}	131.2364	0.837	5	131.2364	0.701	5	128.5852	7.979	12	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|O<2>,2|C<4>,3|H<1>}	125.1540	0.587	2	125.2560	0.203	3	128.5852	7.979	12	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){2|C<4>,4|H<1>}	125.4600	0.000	1	125.2560	0.203	3	128.5852	7.979	12	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,2|H<1>,3|C<4>}	130.9460	0.000	1	130.9460	0.000	1	128.5852	7.979	12	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	126.7087	0.115	3	126.7087	0.013	3	128.5852	7.979	12	127.9543	9.645	16	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:2:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	124.6780	0.000	1	124.6780	0.000	1	124.6780	0.000	1	124.6780	0.000	1	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,1|O<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	131.1280	0.000	1	131.1280	0.000	1	131.1280	0.000	1	131.1280	0.000	1	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	130.0350	0.000	1	130.0350	0.000	1	133.7153	4.692	7	133.7153	4.692	7	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,5|H<1>}	134.0210	0.000	1	134.0210	0.000	1	133.7153	4.692	7	133.7153	4.692	7	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH){2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	134.3902	1.749	5	134.3902	3.059	5	133.7153	4.692	7	133.7153	4.692	7	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3)	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	130.9770	0.000	1	130.9770	0.000	1	130.9770	0.000	1	130.9770	0.000	1	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:4:	3:3:4:	P[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	P[4,5,5,6]-3:C[5,6]-3:C-4:	C[5,6](P[4,5,5,6]C[3,4,5,6]C[4,4,5,5]H)(C[5,6]P[4,5,5,6]C)(CC3)	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	C[5,6](P[4,5,5,6]C[4,4,5,5]P[3,4,5,6])(C[5,6]P[4,5,5,6]C)(CC3)	C[5,6](P[4,5,5,6]C[3,4,5,6]C[4,4,5,5]H)(C[5,6]P[4,5,5,6]C)(CC3){2|C<4>,2|P<3>}	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	C[5,6](P[4,5,5,6]C[4,4,5,5]P[3,4,5,6])(C[5,6]P[4,5,5,6]C)(CC3){1|H<1>,1|P<3>,2|C<4>}	134.0470	0.000	1	134.0470	0.000	1	134.0470	0.000	1	134.0470	0.000	1	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3)	C(C[5,6]C[5,5,6]C[5,6])(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3){1|C<4>,1|O<1>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	127.5980	56.413	2	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:4:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC){1|C<4>,1|H<1>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	132.9090	0.000	1	132.9090	0.000	1	132.9090	0.000	1	127.5980	56.413	2	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:4:	4:3:4:	C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3)	C(C[5,6]C[3x5,6,6]C[5,6])(CH3)3	C[5,6](C[4,5,5,6]C[4,3x5,6]2H)(C[5,6]C[3x5,6,6]C)(CC3)	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[3x5,6,6]C[5,6])(CH3)3	C[5,6](C[4,5,5,6]C[4,3x5,6]2H)(C[5,6]C[3x5,6,6]C)(CC3){1|H<1>,4|C<4>}	135.2260	1.686	2	135.2260	2.842	2	135.2260	2.842	2	134.4402	1.800	4	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:	3:4:4:4:	4:3:4:	C[4,5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,6](C[4,5,5,6]C[4,3x5,6]2H)(C[5,6]C[3x5,6,6]C)(CC3)	C(C[5,6]C[4,5,5,6]C[5,6])(CH3)3	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3)	C[5,6](C[4,5,5,6]C[4,3x5,6]2H)(C[5,6]C[3x5,6,6]C)(CC3){1|H<1>,4|C<4>}	C(C[5,6]C[4,5,5,6]C[5,6])(CH3)3	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3){1|C<3>,2|H<1>,3|C<4>}	133.6545	0.296	2	133.6545	0.088	2	133.6545	0.088	2	134.4402	1.800	4	129.0405	4.500	200	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:2:4:	3:1:1:1:	4:3:3:	C[5,5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3)	C(C[5]C[5,5]O[5])(H)3	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5])(H)3	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]C)(C[5]O[5]O){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	131.4120	0.000	1	131.4120	0.000	1	131.4120	0.000	1	131.4120	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:2:4:	3:4:4:2:	3:3:3:	C[5,5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:O-2:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO)	C(C[5]C[5,5]O[5])(CH3)2(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C)	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO){2|C<4>,3|C<3>}	C(C[5]C[5,5]O[5])(CH3)2(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C){1|H<1>,2|C<4>,3|C<3>}	133.3920	0.000	1	133.3920	0.000	1	133.3920	0.000	1	133.3920	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:2:4:	3:4:4:4:	4:3:3:	C[5,5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5,6]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)	C(C[5]C[5,5]N[5])(CH3)3	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3){2|Br<1>,1|C<3>,1|N<2>,2|C<4>}	C(C[5]C[5,5]N[5])(CH3)3	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[5]Br)(C[5]N[5]C){1|Br<1>,2|H<1>,3|C<4>}	127.7600	0.000	1	127.7600	0.000	1	127.7600	0.000	1	127.7600	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:2:4:	3:4:4:4:	4:4:3:	C[5,5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5])(CC3)	C(C[5]C[5,5]N[5])(CH3)3	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5])(CC3){1|Zr<14>,1|N<3>,2|C<4>,3|C<3>}	C(C[5]C[5,5]N[5])(CH3)3	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){2|C<4>,3|C<3>}	129.9720	0.000	1	129.9720	0.000	1	129.9720	0.000	1	129.9720	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	129.3880	0.000	1	129.3880	0.000	1	129.3880	0.000	1	129.3880	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	132.2020	0.000	1	132.2020	0.000	1	131.9080	0.173	2	129.4672	1.886	10	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	131.6140	0.000	1	131.6140	0.000	1	131.9080	0.173	2	129.4672	1.886	10	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:4:3:	C[5,5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]Co)(CH3)	C(C[5]C[5,5]N[5])(H)3	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]Co)(CH3){1|B<4>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5])(H)3	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Co<6>,1|B<4>,4|H<1>}	128.8427	0.927	3	128.8427	0.860	3	128.8427	0.860	3	129.4672	1.886	10	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C(C[5]C[5,6a]C[5,5])(H)3	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5,5])(H)3	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	128.9393	0.252	3	128.8656	0.046	5	128.8656	0.046	5	129.4672	1.886	10	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C(C[5]C[5,6a]C[5,5])(H)3	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5,5])(H)3	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){4|C<3>}	128.7550	0.123	2	128.8656	0.046	5	128.8656	0.046	5	129.4672	1.886	10	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:N[5]-2:	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]){2|C<3>,7|H<1>}	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:P[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C){3|C<4>,4|C<3>}	127.6140	0.573	2	127.6140	0.328	2	127.5980	0.110	4	126.7943	1.190	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:P[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C){5|C<4>}	127.5820	0.000	2	127.5820	0.000	2	127.5980	0.110	4	126.7943	1.190	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5]C[5]SnC)(C[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3){2|Sn<4>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5]C[5]SnC)(C[5,5]C[5]2)(C[5]C[5]C){1|Sn<4>,4|C<4>}	125.7227	0.624	3	125.7227	0.390	3	125.7227	0.390	3	126.7943	1.190	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3){1|N<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]N[5]HH)(C[5]C[5]C){1|O<1>,1|S<4>,2|C<4>,5|H<1>}	129.8130	0.000	1	129.8130	0.000	1	129.6590	0.047	2	128.9716	1.906	13	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	129.5050	0.000	1	129.5050	0.000	1	129.6590	0.047	2	128.9716	1.906	13	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,5|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	130.5260	0.000	1	130.5260	0.000	1	130.5260	0.000	1	128.9716	1.906	13	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|S<1>,2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C){3|C<4>,4|C<3>}	128.1660	1.274	2	128.1660	1.624	2	129.0134	2.019	8	128.9716	1.906	13	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C){3|C<4>,4|C<3>}	127.9460	2.080	2	127.9460	4.328	2	129.0134	2.019	8	128.9716	1.906	13	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C){3|C<4>,4|C<3>}	129.9708	0.516	4	129.9708	0.266	4	129.0134	2.019	8	128.9716	1.906	13	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:Si[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C)	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3){1|As<3>,1|N<3>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C){1|Cl<1>,3|C<4>}	127.3400	0.000	2	127.3400	0.000	2	127.3400	0.000	2	128.9716	1.906	13	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:3:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,5]N[5]O[5]O)(C[5]C[5,5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	129.7750	0.000	1	129.7750	0.000	1	129.7750	0.000	1	129.7750	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:3:4:4:	3:4:3:	C[5,5]-3:P[5]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,4|H<1>}	129.3520	1.437	2	129.3520	2.065	2	129.3520	2.065	2	129.3520	2.065	2	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:4:1:1:	4:4:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH){3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,7|H<1>}	128.8850	0.000	1	128.8850	0.000	1	128.8850	0.000	1	128.8850	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:4:4:1:	3:3:2:	C[5,5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	N[5,5]-3:C[5]-3:O[5]-2:	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH)	C(C[5]C[5,5]N[5])(CH3)2(H)	C[5,5](N[5,5]C[5]2)(C[5]N[5]C)(O[5]C[5])	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH){1|H<1>,2|C<4>}	C(C[5]C[5,5]N[5])(CH3)2(H)	C[5,5](N[5,5]C[5]2)(C[5]N[5]C)(O[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	131.6550	0.000	1	131.6550	0.000	1	131.6550	0.000	1	131.6550	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH)	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH){1|B<4>,1|O<3>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C){1|Li<3>,4|C<3>}	126.8220	0.000	1	126.8220	0.000	1	126.8220	0.000	1	126.8220	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:4:4:4:	3:3:3:	C[5,5]-3:P[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-3:N[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]N[5])(P[5]N[5]O)(CC3)	C(C[5]C[5,5]P[5])(CH3)3	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C)	C[5](C[5,5]C[5,5]N[5])(P[5]N[5]O)(CC3){1|C<4>,3|C<3>}	C(C[5]C[5,5]P[5])(CH3)3	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	131.8110	0.000	1	131.8110	0.000	1	131.8110	0.000	1	131.8110	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3)	C(C[5]C[5,6a]C[5,5])(CH3)3	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5,5])(CH3)3	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	128.5400	0.000	1	128.5400	0.000	1	128.5400	0.000	1	128.5400	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:3:4:	3:4:4:4:	4:4:3:	C[5,5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5]H)(CC3)	C(C[5]C[5,5]N[5])(CH3)3	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5]H)(CC3){1|Zr<14>,1|N<3>,2|C<4>,3|C<3>}	C(C[5]C[5,5]N[5])(CH3)3	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	130.2130	0.000	1	130.2130	0.000	1	130.2130	0.000	1	130.2130	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:1:1:1:	3:3:3:	C[5,5]-3:C[5,5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:C[5]-3:	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3)	C(C[5]C[5,5]2)(H)3	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C)	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3){2|H<1>,3|C<4>,4|C<3>}	C(C[5]C[5,5]2)(H)3	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C){2|C<3>,2|H<1>,2|N<3>}	131.5440	0.000	1	131.5440	0.000	1	131.5440	0.000	1	129.4934	3.576	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:1:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	127.6155	0.286	2	127.6333	0.042	3	129.1517	3.310	6	129.4934	3.576	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:1:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,5|C<4>}	127.6690	0.000	1	127.6333	0.042	3	129.1517	3.310	6	129.4934	3.576	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:1:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|O<1>,5|C<4>}	130.5140	0.000	1	131.2010	0.944	2	129.1517	3.310	6	129.4934	3.576	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:1:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,3|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)2{1|C<3>,5|C<4>}	131.8880	0.000	1	131.2010	0.944	2	129.1517	3.310	6	129.4934	3.576	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:1:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	129.6080	0.000	1	129.6080	0.000	1	129.1517	3.310	6	129.4934	3.576	7	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C)	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]C){1|O<1>,2|C<4>,7|H<1>}	127.4745	0.163	2	127.4745	0.027	2	127.4745	0.027	2	129.2486	2.762	5	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:1:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,3|C<4>,5|H<1>}	130.4313	0.515	3	130.4313	0.265	3	130.4313	0.265	3	129.2486	2.762	5	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	3:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5]CC)	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	125.3730	0.000	1	125.3730	0.000	1	125.3730	0.000	1	127.8269	12.031	23	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	3:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<3>,1|C<4>,4|H<1>}	129.3767	4.353	8	129.3767	18.949	8	127.9385	12.304	22	127.8269	12.031	23	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	3:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<4>,1|C<3>,1|C<4>,4|H<1>}	125.5859	1.240	8	125.6273	1.362	9	127.9385	12.304	22	127.8269	12.031	23	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	3:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pt<5>,1|C<3>,1|C<4>,4|H<1>}	125.9590	0.000	1	125.6273	1.362	9	127.9385	12.304	22	127.8269	12.031	23	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	3:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<5>,1|C<3>,1|C<4>,4|H<1>}	128.6050	0.000	1	131.4307	6.235	3	127.9385	12.304	22	127.8269	12.031	23	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	3:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Rh<6>,1|C<3>,1|C<4>,4|H<1>}	132.8435	0.702	2	131.4307	6.235	3	127.9385	12.304	22	127.8269	12.031	23	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	3:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	127.3470	0.690	2	127.3470	0.476	2	127.9385	12.304	22	127.8269	12.031	23	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	4:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Au)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Au)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|N<3>,3|C<3>,4|H<1>}	126.2990	0.000	1	126.2990	0.000	1	126.4207	0.311	6	126.4207	0.311	6	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	4:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	126.0787	0.395	3	126.0787	0.156	3	126.4207	0.311	6	126.4207	0.311	6	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:3:4:4:	4:4:3:	C[5,5]-3:P[5]-4:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5,5](C[5,5]C[5a]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	126.9945	0.467	2	126.9945	0.218	2	126.4207	0.311	6	126.4207	0.311	6	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:4:1:1:	3:3:3:	C[5,5]-3:C[5,6]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH)	C(C[5]C[5,5]C[5,6])(CH3)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C)	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C(C[5]C[5,5]C[5,6])(CH3)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	126.5960	0.000	1	126.5960	0.000	1	126.5960	0.000	1	127.5270	1.734	2	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:4:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH){1|C<3>,1|C<4>,2|O<1>}	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,5|C<4>}	128.4580	0.000	1	128.4580	0.000	1	128.4580	0.000	1	127.5270	1.734	2	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:4:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,5|C<4>,7|H<1>}	128.8145	0.269	2	128.8145	0.073	2	128.8145	0.073	2	129.1802	0.427	6	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:4:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	128.6230	0.000	1	128.8210	0.078	2	128.8210	0.078	2	129.1802	0.427	6	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:4:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	129.0190	0.000	1	128.8210	0.078	2	128.8210	0.078	2	129.1802	0.427	6	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:4:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	130.3570	0.000	1	130.3570	0.000	1	129.9050	0.409	2	129.1802	0.427	6	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:4:1:1:	4:4:3:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	129.4530	0.000	1	129.4530	0.000	1	129.9050	0.409	2	129.1802	0.427	6	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	3:4:4:	3:4:4:4:	3:3:2:	C[5,5]-3:P[5]-4:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5](C[5,5]C[5,5]Se[5])(P[5]C[6a]Se[5]Se)(CC3)	C(C[5]C[5,5]P[5])(CH3)3	C[5,5](C[5,5]Se[5]C[5])(C[5]P[5]C)(Se[5]P[5])	C[5](C[5,5]C[5,5]Se[5])(P[5]C[6a]Se[5]Se)(CC3){1|P<4>,3|C<3>}	C(C[5]C[5,5]P[5])(CH3)3	C[5,5](C[5,5]Se[5]C[5])(C[5]P[5]C)(Se[5]P[5]){2|Se<1>,1|C<4>,2|C<3>}	125.7825	0.161	2	125.7825	0.026	2	125.7825	0.026	2	125.7825	0.026	2	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,5]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5,5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3)	C(C[5]C[5,5]2)(H)3	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,5]2)(H)3	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]C)(C[5]C[5]H){2|C<3>,4|H<1>}	129.3380	0.000	1	129.3380	0.000	1	129.3380	0.000	1	129.3380	0.000	1	128.5020	5.490	97	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6,6]-4:C[4,6,6]-4:C[5]-3:	C[5](C[5,6,6]C[4,5,6,6]C[4,6,6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5,6,6](C[4,5,6,6]C[4,5,6,6]C[4,6,6]O[5])(C[4,6,6]C[4,6,6]2H)(C[5]C[5]C)	C[5](C[5,6,6]C[4,5,6,6]C[4,6,6])(C[5]O[5]O)(CH3){1|H<1>,4|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	C[5,6,6](C[4,5,6,6]C[4,5,6,6]C[4,6,6]O[5])(C[4,6,6]C[4,6,6]2H)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	130.5680	0.888	2	130.5680	0.789	2	130.5680	0.789	2	130.5680	0.789	2	129.7028	9.577	5	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6,6]	3:3:4:	3:3:1:1:	4:4:3:	C[5,6,6]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	132.4630	0.000	1	132.4630	0.000	1	132.4630	0.000	1	132.4630	0.000	1	129.7028	9.577	5	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6,6]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6])2(CC3)	C(C[5]C[5,6,6]2)(CH3)3	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(CC3){2|H<1>,6|C<4>}	C(C[5]C[5,6,6]2)(CH3)3	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	127.4575	4.280	2	127.4575	18.319	2	127.4575	18.319	2	127.4575	18.319	2	129.7028	9.577	5	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5])(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	127.7155	1.422	2	127.7155	2.022	2	127.7155	2.022	2	127.7155	2.022	2	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:2:4:	3:1:1:1:	4:3:3:	C[5,6]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3)	C(C[5]C[5,6]O[5])(H)3	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C(C[5]C[5,6]O[5])(H)3	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	132.5020	0.000	1	132.5020	0.000	1	132.5020	0.000	1	132.5020	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C){1|Ru<8>,1|H<1>,5|C<4>}	126.3780	0.000	1	126.3780	0.000	1	126.2980	0.018	3	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	126.2580	0.160	2	126.2580	0.026	2	126.2980	0.018	3	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3)	C(C[5]C[5,6]N[5])(H)3	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	C(C[5]C[5,6]N[5])(H)3	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.6100	0.000	1	120.6100	0.000	1	125.3775	45.458	2	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]Zn)(CH3)	C(C[5]C[5,6]N[5])(H)3	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]Zn)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6]N[5])(H)3	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,1|H<1>,2|C<3>}	130.1450	0.000	1	130.1450	0.000	1	125.3775	45.458	2	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H)	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|S<2>}	121.5400	0.000	1	121.5400	0.000	1	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	122.8635	0.176	2	122.8635	0.031	2	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	122.8150	0.000	1	122.8150	0.000	1	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	121.3520	0.575	4	121.3520	0.330	4	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|Se<2>,2|Br<1>,1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|Se<2>,2|Br<1>,1|C<3>,1|N<2>,2|H<1>}	121.6460	0.000	1	121.2628	0.102	6	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Br<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Br<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	120.8090	0.000	1	121.2628	0.102	6	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	121.1700	0.000	1	121.2628	0.102	6	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	121.6230	0.000	1	121.2628	0.102	6	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,2|S<2>,3|C<3>}	C(C[5]C[5,6]N[5,5])(H)3	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	121.1645	0.006	2	121.2628	0.102	6	121.6476	0.546	14	122.7745	6.732	19	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C)	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	122.8075	0.012	2	122.8075	0.000	2	122.8075	0.000	2	126.0228	15.444	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	130.4480	0.000	1	130.5600	0.025	2	127.2407	33.066	3	126.0228	15.444	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>}	130.6720	0.000	1	130.5600	0.025	2	127.2407	33.066	3	126.0228	15.444	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3){1|C<3>,1|W<6>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,1|W<6>,4|H<1>}	120.6020	0.000	1	120.6020	0.000	1	127.2407	33.066	3	126.0228	15.444	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	130.0090	0.000	1	130.0090	0.000	1	130.0090	0.000	1	126.0228	15.444	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	125.4180	0.475	2	125.4180	0.226	2	125.4180	0.226	2	126.0228	15.444	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:2:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	125.6195	18.186	2	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:2:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:Se[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C)	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3){1|Se<2>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C){2|C<3>,3|C<4>}	128.6350	0.000	1	128.6350	0.000	1	128.6350	0.000	1	125.6195	18.186	2	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:C[5,6a]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C(C[5]C[5,6a]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,5|C<3>}	C(C[5]C[5,6a]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	129.5310	0.000	1	129.5310	0.000	1	129.5310	0.000	1	128.1509	8.351	9	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3){3|C<3>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	124.6380	0.151	2	124.6380	0.023	2	124.6380	0.023	2	128.1509	8.351	9	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	127.6030	0.000	1	127.6030	0.000	1	129.9170	10.709	2	128.1509	8.351	9	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	132.2310	0.000	1	132.2310	0.000	1	129.9170	10.709	2	128.1509	8.351	9	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-4:P[5,6]-3:C[5]-3:	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C){3|C<4>,5|C<3>}	125.6740	0.000	1	125.6740	0.000	1	125.6740	0.000	1	128.1509	8.351	9	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	C(C[5]C[5,6]N[5])(H)3	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]N[5])(H)3	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	131.5850	0.000	1	131.5850	0.000	1	129.3940	9.601	2	128.1509	8.351	9	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	C(C[5]C[5,6]N[5])(H)3	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6]N[5])(H)3	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	127.2030	0.000	1	127.2030	0.000	1	129.3940	9.601	2	128.1509	8.351	9	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)	C(C[5]C[5,6a]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C){2|H<1>,4|C<3>}	130.2550	0.000	1	130.2550	0.000	1	130.2550	0.000	1	128.1509	8.351	9	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:4:	C[5,5a]-3:C[5,6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3)	C(C[5]C[5,5a]C[5,6])(H)3	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5a]C[5,6])(H)3	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	129.4690	0.000	1	129.4690	0.000	1	129.4690	0.000	1	129.4690	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[5](C[5,6]C[3,5,6]C[3,6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,6]O[3]O[5])(C[3,6]C[3,6,6]O[3]H)(C[5]C[5]C)	C[5](C[5,6]C[3,5,6]C[3,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,6]O[3]O[5])(C[3,6]C[3,6,6]O[3]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<4>}	131.3710	0.000	1	131.3710	0.000	1	131.3710	0.000	1	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	130.9650	0.000	1	130.9650	0.000	1	130.9650	0.000	1	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	129.6480	0.693	2	129.6480	0.480	2	129.6480	0.480	2	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	129.1110	0.000	1	129.1110	0.000	1	129.1110	0.000	1	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	130.2290	0.000	1	130.2290	0.000	1	130.6135	0.296	2	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	130.9980	0.000	1	130.9980	0.000	1	130.6135	0.296	2	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	131.9420	0.000	1	131.9420	0.000	1	130.3780	4.892	2	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	128.8140	0.000	1	128.8140	0.000	1	130.3780	4.892	2	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	132.7755	0.402	2	132.7755	0.162	2	132.7755	0.162	2	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	133.0600	0.238	2	133.0600	0.056	2	133.0600	0.056	2	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	129.6630	0.000	1	129.6630	0.000	1	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	129.1460	0.000	1	129.5390	0.309	2	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	129.9320	0.000	1	129.5390	0.309	2	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	128.3360	0.000	1	128.3360	0.000	1	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	128.6140	0.000	1	128.8960	0.159	2	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	129.1780	0.000	1	128.8960	0.159	2	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	132.6180	0.000	1	132.6180	0.000	1	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	131.1150	0.000	1	131.1150	0.000	1	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	130.9440	0.000	1	130.7183	0.600	6	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	130.2093	0.603	3	130.7183	0.600	6	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	131.3690	0.774	2	130.7183	0.600	6	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	131.1367	0.149	3	131.1367	0.022	3	130.3719	1.373	17	130.6906	1.894	30	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]HH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	130.8300	0.000	1	130.8300	0.000	1	129.6755	2.666	2	129.5617	1.372	3	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]HH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<5>,2|C<3>,2|H<1>}	128.5210	0.000	1	128.5210	0.000	1	129.6755	2.666	2	129.5617	1.372	3	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,2|C<3>,2|H<1>}	129.3340	0.000	1	129.3340	0.000	1	129.3340	0.000	1	129.5617	1.372	3	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH)	C(C[5]C[5,6]C[5])(COO)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(COO)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,4|H<1>}	131.4810	0.000	1	131.4810	0.000	1	131.4810	0.000	1	130.9348	0.285	4	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	130.7527	0.478	3	130.7527	0.229	3	130.7527	0.229	3	130.9348	0.285	4	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3)	C(C[5]C[5,6]N[5])4	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])4	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	124.6820	0.419	2	124.6820	0.175	2	124.6820	0.175	2	124.6820	0.175	2	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH)	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cu<3>,2|C<3>,2|H<1>}	128.0840	0.385	2	128.0840	0.148	2	128.0840	0.148	2	128.7731	0.629	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	128.6220	0.697	2	128.6220	0.486	2	129.0028	0.598	6	128.7731	0.629	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[6]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[6]CH){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<5>,2|C<3>,2|H<1>}	129.1980	0.000	1	129.1980	0.000	1	129.0028	0.598	6	128.7731	0.629	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]CH){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	129.0800	0.000	1	129.0800	0.000	1	129.0028	0.598	6	128.7731	0.629	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]CH){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<5>,2|C<3>,2|H<1>}	129.2475	1.432	2	129.2475	2.050	2	129.0028	0.598	6	128.7731	0.629	8	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:P[6]-2:	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH)	C(C[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(P[6]C[6])	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH){1|C<4>,1|S<1>,2|C<3>}	C(C[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(P[6]C[6]){1|C<3>,1|H<1>,1|S<1>,3|C<4>}	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	122.7546	22.099	5	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:S[6]-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH)	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH){5|C<3>}	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6]){2|H<1>,3|C<3>}	126.4520	4.223	2	126.4520	17.832	2	126.4520	17.832	2	122.7546	22.099	5	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:Se[6]-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH)	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH){5|C<3>}	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6]){2|H<1>,3|C<3>}	120.3430	4.998	2	120.3430	24.978	2	120.3430	24.978	2	122.7546	22.099	5	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])2(CCHH)	C(C[5]C[5,6]2)(CHHP)(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	C(C[5]C[5,6]2)(CHHP)(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	126.2160	0.745	6	126.1597	0.410	11	126.1597	0.410	11	126.7639	4.679	14	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])2(CCHH)	C(C[5]C[5,6]2)(CHHP)(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	C(C[5]C[5,6]2)(CHHP)(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	126.0922	0.567	5	126.1597	0.410	11	126.1597	0.410	11	126.7639	4.679	14	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])2(CCHH)	C(C[5]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|O<1>,4|C<3>}	C(C[5]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C){1|O<1>,4|C<3>}	125.7970	0.000	1	126.4955	0.976	2	126.4955	0.976	2	126.7639	4.679	14	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5,6]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])2(CCHH)	C(C[5]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|O<1>,4|C<3>}	C(C[5]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C){1|O<2>,4|C<3>}	127.1940	0.000	1	126.4955	0.976	2	126.4955	0.976	2	126.7639	4.679	14	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH)	C(C[5]C[5,6]N[5])(CCCH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C)	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH){1|C<4>,3|C<3>}	C(C[5]C[5,6]N[5])(CCCH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C){1|C<4>,3|C<3>,4|H<1>}	133.9470	0.000	1	133.9470	0.000	1	133.9470	0.000	1	126.7639	4.679	14	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:1:1:	4:3:4:	C[5,5a]-3:C[5,6]-3:C-4:	C[5]-3:Si-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH)	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5a]C[5,6])(SiC3)(H)2	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	127.6700	0.000	1	127.6700	0.000	1	127.6700	0.000	1	127.6700	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH){3|H<1>,4|C<4>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	130.8740	1.647	4	130.8740	2.714	4	130.8740	2.714	4	129.7303	4.945	6	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	128.1100	0.000	1	128.1100	0.000	1	127.4430	0.890	2	129.7303	4.945	6	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	126.7760	0.000	1	126.7760	0.000	1	127.4430	0.890	2	129.7303	4.945	6	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Au)(CC3)	C(C[5]C[5,6]C[5])(CH3)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Au)(CC3){1|H<1>,4|C<3>}	C(C[5]C[5,6]C[5])(CH3)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,3|C<3>}	121.2900	0.000	1	121.2900	0.000	1	121.2900	0.000	1	127.2830	71.832	2	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:3:4:	3:4:4:4:	3:3:3:	P[3,5]-3:C[5,6]-3:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,6]-3:N[6]-3:C[5]-3:	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3)	C(C[5]C[5,6]P[3,5])(CH3)3	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C)	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3){1|C<4>,5|C<3>}	C(C[5]C[5,6]P[3,5])(CH3)3	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C){2|C<4>,2|O<1>,3|C<3>}	133.2760	0.000	1	133.2760	0.000	1	133.2760	0.000	1	127.2830	71.832	2	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6]-3:C-4:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe)	C(C[5]C[5,6]N[5])3(C[6]C[6]N[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])3(C[6]C[6]N[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	124.6480	0.000	1	125.4787	0.809	3	125.4787	0.809	3	125.4787	0.809	3	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6]-3:C-4:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe)	C(C[5]C[5,6]N[5])3(C[6]C[6]N[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])3(C[6]C[6]N[6])	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	125.8940	0.764	2	125.4787	0.809	3	125.4787	0.809	3	125.4787	0.809	3	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:1:1:1:	4:3:3:	C[5,6]-3:C[5,5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	C(C[5]C[5,5]C[5,6])(H)3	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C)	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C(C[5]C[5,5]C[5,6])(H)3	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C){2|H<1>,5|C<3>}	132.2797	1.267	3	132.2797	1.607	3	132.2797	1.607	3	132.2797	1.607	3	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C){1|O<2>,4|C<4>,4|H<1>}	130.0230	0.000	1	130.0230	0.000	1	130.0230	0.000	1	130.0230	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:2:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)	C(C[5]C[5,6]C[5])(OC)(H)2	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(OC)(H)2	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C){1|C<3>,4|C<4>,5|H<1>}	129.1830	0.000	1	129.1830	0.000	1	129.1830	0.000	1	129.1830	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:N-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN)	C(C[5]C[5,6]C[5])(NHS)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(NHS)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	126.3780	0.000	1	126.3780	0.000	1	126.3780	0.000	1	126.3780	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH){1|S<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	126.2050	0.000	1	126.2050	0.000	1	126.2050	0.000	1	126.2050	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:4:4:1:	4:3:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|O<2>,3|C<4>,5|H<1>}	130.1290	0.000	1	130.1290	0.000	1	130.1290	0.000	1	130.1290	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	127.7560	0.000	1	127.7560	0.000	1	128.4117	1.044	3	128.8562	1.487	4	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	129.5890	0.000	1	129.5890	0.000	1	128.4117	1.044	3	128.8562	1.487	4	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,7|H<1>}	127.8900	0.000	1	127.8900	0.000	1	128.4117	1.044	3	128.8562	1.487	4	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	130.1900	0.000	1	130.1900	0.000	1	130.1900	0.000	1	128.8562	1.487	4	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:4:4:2:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C-4:C-4:O-2:	C[5,3x6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO)	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C)	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO){1|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6]C[5]2C[6])(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,4|C<4>,7|H<1>}	129.3095	0.453	2	129.3095	0.205	2	129.3095	0.205	2	129.3095	0.205	2	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5,6]	3:4:4:	3:4:4:4:	3:3:3:	C[5,6]-3:P[5]-4:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,6]-3:N[6]-3:C[5]-3:	C[5](C[5,6]N[5,6]N[6])(P[5]C[5]AuC)(CC3)	C(C[5]C[5,6]P[5])(CH3)3	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]P[5]C)	C[5](C[5,6]N[5,6]N[6])(P[5]C[5]AuC)(CC3){4|C<3>}	C(C[5]C[5,6]P[5])(CH3)3	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]P[5]C){1|Au<2>,1|C<4>,2|O<1>,4|C<3>}	132.2480	0.000	1	132.2480	0.000	1	132.2480	0.000	1	132.2480	0.000	1	127.7493	13.347	135	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:1:1:1:	2:3:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-3:	C[5](O[5]C[5,6])(C[5]O[5]C)(CH3)	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,6])(C[5]O[5]C)(COO)	C[5](O[5]C[5,6])(C[5]O[5]C)(CH3){2|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](O[5]C[5,6])(C[5]O[5]C)(COO){2|C<4>}	133.9250	0.431	3	133.9250	0.186	3	133.9250	0.186	3	133.9250	0.186	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:1:1:1:	2:3:4:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3)	C(C[5]C[5]O[5])(H)3	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3)	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3){2|Si<4>}	C(C[5]C[5]O[5])(H)3	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3){2|Si<4>}	129.4670	0.765	2	129.4670	0.585	2	129.4670	0.585	2	129.4670	0.585	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:1:1:1:	3:3:1:	N[5]-2:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:I-1:	C[5](N[5]C[5,6])(C[5]C[5]I)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5,6]C[6a])(C[5]N[5]C)(I)	C[5](N[5]C[5,6])(C[5]C[5]I)(CF3){3|C<3>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5,6]C[6a])(C[5]N[5]C)(I){4|C<3>}	126.6390	0.000	1	126.6390	0.000	1	126.6390	0.000	1	129.6380	17.988	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:1:1:1:	3:3:1:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]C)(H){2|C<3>}	132.6370	0.000	1	132.6370	0.000	1	132.6370	0.000	1	129.6380	17.988	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:1:1:1:	4:3:1:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]C)(H){2|N<3>}	133.3020	0.000	1	133.3020	0.000	1	133.2405	0.008	2	133.2405	0.008	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:1:1:1:	4:3:1:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](O[5]C[5,6])(C[5]C[5]H)(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]O[5]C)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]O[5]C)(H){2|N<3>}	133.1790	0.000	1	133.1790	0.000	1	133.2405	0.008	2	133.2405	0.008	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:1:1:1:	4:3:3:	O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](O[5]C[5,6])(C[5]C[5]C)(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]CC)(C[5]O[5]C)(COO)	C[5](O[5]C[5,6])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]CC)(C[5]O[5]C)(COO){2|C<3>}	134.4450	0.000	1	134.4450	0.000	1	134.4450	0.000	1	134.4450	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:4:1:1:	3:3:4:	O[5]-2:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]O[5])(CH3)(H)2	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5])(CH3)(H)2	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3){1|C<3>,1|C<4>}	129.8010	0.000	1	129.8010	0.000	1	129.8010	0.000	1	129.8010	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	2:3:4:	3:4:4:4:	3:3:1:	O[5]-2:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](O[5]P[4,5,5])(C[5]N[5,5]H)(CC3)	C(C[5]C[5]O[5])(CH3)3	C[5](N[5,5]P[4,5,5]C[5])(C[5]O[5]C)(H)	C[5](O[5]P[4,5,5])(C[5]N[5,5]H)(CC3){1|C<3>,1|O<2>,2|N<3>}	C(C[5]C[5]O[5])(CH3)3	C[5](N[5,5]P[4,5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	132.3335	1.116	6	132.3335	1.247	6	132.3335	1.247	6	132.3335	1.247	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:Cl-1:H-1:H-1:	C[5]-3:Se[5]-2:Cl-1:	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH)	C(C[5]C[5]N[5])(Cl)(H)2	C[5](C[5]N[5]C)(Se[5]C[5])(Cl)	C[5](C[5]Se[5]Cl)(N[5]C[5])(CClHH){1|C<3>}	C(C[5]C[5]N[5])(Cl)(H)2	C[5](C[5]N[5]C)(Se[5]C[5])(Cl){1|C<3>}	125.7085	0.349	2	125.7085	0.122	2	125.7085	0.122	2	126.3499	4.314	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5])(H){1|H<1>}	130.5190	0.000	1	130.5190	0.000	1	130.5190	0.000	1	126.3499	4.314	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<3>}	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	126.3499	4.314	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(S[5]C[5])(CF3)	C(C[5]C[5]S[5])(F)3	C[5](C[5]S[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CF3){1|C<3>}	C(C[5]C[5]S[5])(F)3	C[5](C[5]S[5]C)(S[5]C[5])(H){1|C<3>}	124.6765	0.866	2	124.6765	0.750	2	124.6765	0.750	2	126.3499	4.314	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(H){1|C<3>}	126.7754	1.646	9	126.7754	2.709	9	126.7754	2.709	9	126.3499	4.314	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:I-1:	C[5](C[5]S[5]I)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(I)	C[5](C[5]S[5]I)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(I){1|C<3>}	126.3487	2.473	4	126.3487	6.115	4	126.3487	6.115	4	126.3499	4.314	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:2:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-2:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CC)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CC){1|C<3>}	125.4781	0.755	15	125.4781	0.570	15	125.4781	0.570	15	126.1335	1.773	24	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:2:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]S)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(SC)	C[5](C[5]S[5]S)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(SC){1|C<3>}	127.2260	1.396	9	127.2260	1.950	9	127.2260	1.950	9	126.1335	1.773	24	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]C)(S[5]C[5])(COO)	C[5](C[5]S[5]C)(O[5]C[5])(CH3){1|N<2>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]C)(S[5]C[5])(COO){1|N<2>}	133.9060	0.000	1	133.9060	0.000	1	133.9060	0.000	1	129.5793	15.020	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CCH)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CCH){1|C<3>}	126.4260	0.000	1	126.4260	0.000	1	126.4260	0.000	1	129.5793	15.020	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:S-3:	C[5](C[5]S[5]S)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(SCW)	C[5](C[5]S[5]S)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(SCW){1|C<3>}	128.4060	0.000	1	128.4060	0.000	1	128.4060	0.000	1	129.5793	15.020	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:4:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CBHH)	C[5](C[5]O[5]C)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CBHH){1|C<3>}	135.3290	0.000	1	135.3290	0.000	1	135.3290	0.000	1	126.9543	2.278	318	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO){1|C<3>}	128.2020	0.267	2	128.2020	0.071	2	127.2299	1.526	208	126.9543	2.278	318	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	127.2334	1.236	204	127.2204	1.531	206	127.2299	1.526	208	126.9543	2.278	318	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|S<2>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|S<2>}	125.8930	0.383	2	127.2204	1.531	206	127.2299	1.526	208	126.9543	2.278	318	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:4:	C[5]-3:Se[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3)	C(C[5]Se[5]C[5])(H)3	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3)	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3){1|C<3>}	C(C[5]Se[5]C[5])(H)3	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3){1|C<3>}	126.3515	1.612	109	126.3515	2.598	109	126.3515	2.598	109	126.9543	2.278	318	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5])(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CF3){1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	128.5895	0.152	2	128.5895	0.023	2	128.5895	0.023	2	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5])(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	130.2125	1.228	2	130.2125	1.509	2	130.2125	1.509	2	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CH3){3|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){2|C<4>}	124.2090	0.000	1	124.2090	0.000	1	130.0725	6.584	11	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	130.7050	0.129	2	130.7050	0.017	2	130.0725	6.584	11	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CH3){2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(H){3|C<3>}	131.4900	0.000	1	131.4900	0.000	1	130.0725	6.584	11	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>}	127.4790	0.000	1	127.4790	0.000	1	130.0725	6.584	11	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	131.0350	1.808	6	131.0350	3.270	6	130.0725	6.584	11	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|Si<5>,1|Ti<7>,1|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Si<5>,1|Ti<7>}	133.7395	0.161	2	133.7395	0.026	2	134.0062	0.328	8	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]C)(H){1|Co<6>}	134.6190	0.000	1	134.7685	0.045	2	134.0062	0.328	8	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]C)(H){1|Pd<4>}	134.9180	0.000	1	134.7685	0.045	2	134.0062	0.328	8	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]H)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Pt<4>,1|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]H)(C[5]O[5]C)(H){1|Pt<4>}	133.5770	0.567	2	133.5770	0.322	2	134.0062	0.328	8	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]N[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]N)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CH3){1|Zn<4>,1|N<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]N[5]N)(C[5]O[5]C)(H){1|Zn<4>}	133.9400	0.472	2	133.9400	0.223	2	134.0062	0.328	8	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<2>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]C)(N[5]C[5]H)(H){1|O<2>}	136.2740	0.000	1	136.2740	0.000	1	136.2740	0.000	1	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5,6]C[5,6]2)(C[5]S[5]C)(H)	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]S[5])(H)3	C[5](C[5,6]C[5,6]2)(C[5]S[5]C)(H){1|C<3>,3|C<4>}	128.0245	0.108	2	128.0245	0.012	2	128.0245	0.012	2	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(S[5]S[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(C[5]S[5]S)(H)	C[5](C[5]C[5]H)(S[5]S[5])(CH3){1|S<2>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(C[5]S[5]S)(H)	126.4270	0.163	2	126.4270	0.026	2	126.4270	0.026	2	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(S[5]C[5])(CH3){1|H<1>,1|N<2>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]H)(H){1|N<2>}	129.3940	0.392	5	129.2260	0.855	22	129.2260	0.855	22	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(S[5]C[5])(CH3){1|H<1>,1|N<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]H)(H){1|N<3>}	129.1766	1.036	17	129.2260	0.855	22	129.2260	0.855	22	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(S[5]C[5,5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5,5]C[5,5]B[5])(C[5]S[5]C)(H)	C[5](C[5]N[5,5]H)(S[5]C[5,5])(CH3){1|B<4>,1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](N[5,5]C[5,5]B[5])(C[5]S[5]C)(H){4|C<3>}	126.6390	0.000	1	126.6390	0.000	1	126.6390	0.000	1	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(S[5]C[5,6])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(H)	C[5](C[5]N[5,6]H)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	C(C[5]C[5]S[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(H){1|N<2>,1|O<2>,2|F<1>}	128.6090	0.000	1	128.6090	0.000	1	128.6090	0.000	1	130.0740	6.255	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	126.6049	0.529	19	126.6240	0.256	21	126.7365	0.513	26	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|H<1>}	126.8055	0.073	2	126.6240	0.256	21	126.7365	0.513	26	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NO)	C[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NO){1|C<4>}	128.3695	0.831	2	128.3695	0.690	2	126.7365	0.513	26	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]O)(NN)	C[5](C[5]C[5]N)(N[5]O[5])(CH3){1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]O)(NN)	126.4353	0.755	3	126.4353	0.570	3	126.7365	0.513	26	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]S)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(SC[6a])	C[5](C[5]C[5]S)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(SC[6a]){1|C<3>}	129.7710	0.000	1	129.7710	0.000	1	129.7710	0.000	1	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Se-2:	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5]){1|C<3>,1|N<2>}	129.3935	1.073	2	129.3935	1.151	2	129.5728	1.603	5	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Se-2:	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5a])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5a]){1|C<3>,1|N<2>}	128.6030	0.000	1	128.6030	0.000	1	129.5728	1.603	5	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Se-2:	C[5](C[5]C[5]Se)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SeC[5a])	C[5](C[5]C[5]Se)(N[5]N[5])(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SeC[5a])	130.2370	1.837	2	130.2370	3.375	2	129.5728	1.603	5	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]2)(C[5]S[5]C)(S[5]C[5])	C[5](C[5]C[5]S[5])(S[5]C[5])(CH3){1|C<4>,2|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]2)(C[5]S[5]C)(S[5]C[5]){2|C<3>,2|C<4>,2|F<1>}	127.1180	0.000	1	127.1180	0.000	1	127.1180	0.000	1	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(S[5]C[5])(CH3){3|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){2|H<1>,3|C<3>}	131.1490	0.000	1	131.1490	0.000	1	131.1490	0.000	1	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(S[5]C[5])(CH3){3|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]C)(S[5]C[5]){2|H<1>,3|C<3>}	127.4010	0.455	5	127.4010	0.207	5	127.4010	0.207	5	127.3861	1.970	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]C[5])(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	C[5](C[5]N[5]C)(C[5]C[5])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>}	125.6670	0.000	2	125.6670	0.000	2	125.6670	0.000	2	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(C[5]C[5])(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]N[5]C)(C[5]C[5])(CH3){1|Fe<5>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[5a]H){1|C<3>}	126.5960	0.000	1	126.5960	0.000	1	126.5960	0.000	1	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C)	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3){4|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C){1|O<2>,2|H<1>,4|C<3>}	130.5840	0.000	1	130.5840	0.000	1	130.5840	0.000	1	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(COO){1|C<4>}	132.4825	0.114	2	132.4825	0.013	2	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCC){1|C<3>}	129.0650	0.000	1	129.0650	0.000	1	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCH)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCH){1|C<3>}	127.3480	0.173	2	127.3480	0.030	2	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN){1|C<3>}	130.2440	0.385	8	130.2754	0.141	10	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN){1|C<4>}	130.4010	0.441	2	130.2754	0.141	10	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO){1|C<3>}	129.2740	0.434	8	129.2740	0.188	8	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C){1|C<3>}	130.3990	0.000	1	130.3990	0.000	1	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H){1|C<3>}	127.1455	0.078	2	127.1455	0.006	2	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N){1|C<3>}	130.1067	0.476	6	130.1067	0.226	6	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]C){1|C<3>}	128.8170	0.000	1	128.8170	0.000	1	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	129.9091	0.496	42	129.9091	0.246	42	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O){1|C<3>}	129.9405	1.646	4	129.9405	2.709	4	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CHN)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CHN){1|C<3>}	127.1402	0.333	6	127.1402	0.111	6	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[5a]H)	C[5](C[5]C[5]C)(N[5]O[5])(CH3){1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[5a]H)	127.3910	0.543	2	127.3910	0.295	2	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]O[5])(CH3){1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	127.4610	0.274	4	127.4610	0.075	4	129.4860	1.533	91	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|N<2>}	129.9236	0.863	5	129.9236	0.745	5	129.3691	1.418	7	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	128.2570	0.000	1	128.2570	0.000	1	129.3691	1.418	7	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	127.7090	0.000	1	127.7090	0.000	1	129.3691	1.418	7	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5a]C[5a]2)(C[5]N[5]C)2	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3){1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5a]C[5a]2)(C[5]N[5]C)2{1|N<2>,1|N<3>,2|C<4>}	130.1055	1.962	2	130.1055	3.850	2	130.1055	3.850	2	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|N<3>,3|C<3>}	129.2980	0.619	2	129.2980	0.384	2	129.0333	0.402	3	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	128.5040	0.000	1	128.5040	0.000	1	129.0333	0.402	3	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO){1|C<3>,1|O<2>}	130.2300	0.000	1	130.1685	0.008	2	130.1685	0.008	2	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]O)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	130.1070	0.000	1	130.1685	0.008	2	130.1685	0.008	2	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C){2|C<3>,2|C<4>,2|H<1>}	132.5660	0.000	1	132.5660	0.000	1	132.5660	0.000	1	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3){1|C<4>,3|C<3>}	C(C[5]C[5]P[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C){2|H<1>,3|C<3>}	123.6970	0.000	1	123.6970	0.000	1	123.6970	0.000	1	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	128.5950	0.298	2	128.5950	0.089	2	128.5950	0.089	2	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	128.4880	0.000	1	128.4880	0.000	1	129.2400	1.131	2	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	129.9920	0.000	1	129.9920	0.000	1	129.2400	1.131	2	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C)	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3){1|N<3>,3|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C){2|H<1>,2|N<3>,3|C<3>}	130.2380	0.000	1	130.2380	0.000	1	130.2380	0.000	1	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:Se[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3)	C(C[5]Se[5]C[5])(H)3	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5]Se[5]C[5])(H)3	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	129.3000	0.000	1	129.3000	0.000	1	129.3000	0.000	1	129.3713	2.046	117	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-4:	C[5](C[5]C[5]S)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO)	C[5](C[5]C[5]S)(O[5]C[5])(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]OO){2|H<1>}	133.1230	0.000	1	133.1230	0.000	1	133.1230	0.000	1	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](N[5]C[5]Al)(C[5]O[5]C)(CH3)	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Al<6>,1|C<3>}	C(C[5]C[5]O[5])(H)3	C[5](N[5]C[5]Al)(C[5]O[5]C)(CH3){1|C<3>}	134.9343	0.583	3	134.9343	0.340	3	134.9080	0.179	5	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](N[5]C[5]Co)(C[5]O[5]C)(CH3)	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Co<4>,1|C<3>}	C(C[5]C[5]O[5])(H)3	C[5](N[5]C[5]Co)(C[5]O[5]C)(CH3){1|C<3>}	134.8685	0.180	2	134.8685	0.033	2	134.9080	0.179	5	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	C(C[5]C[5]P[5])(H)3	C[5](N[5]N[5]Co)(C[5]P[5]C)(CCHH)	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Co<4>,1|Si<4>}	C(C[5]C[5]P[5])(H)3	C[5](N[5]N[5]Co)(C[5]P[5]C)(CCHH){1|Si<4>}	124.8380	1.283	2	124.8380	1.645	2	124.4898	0.740	4	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:P[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	C(C[5]C[5]P[5])(H)3	C[5](N[5]N[5]Ni)(C[5]P[5]C)(CCHH)	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Ni<4>,1|H<1>}	C(C[5]C[5]P[5])(H)3	C[5](N[5]N[5]Ni)(C[5]P[5]C)(CCHH){1|H<1>}	124.1415	0.298	2	124.1415	0.089	2	124.4898	0.740	4	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<3>}	128.7617	0.323	3	128.5470	0.550	8	128.5310	0.483	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	128.1375	1.327	2	128.5470	0.550	8	128.5310	0.483	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<2>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<2>}	129.0480	0.000	1	128.5470	0.550	8	128.5310	0.483	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<4>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<4>}	128.3840	1.049	2	128.5470	0.550	8	128.5310	0.483	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|O<2>,1|S<1>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3){1|S<1>}	128.4030	0.000	1	128.4030	0.000	1	128.5310	0.483	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-3:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5]W)(CH3)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>,1|W<6>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5]W)(CH3){1|C<3>}	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	C(C[5]C[5]S[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3){1|N<2>,1|O<2>,2|F<1>}	129.0510	0.000	1	129.0510	0.000	1	129.0510	0.000	1	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:C-4:	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3)	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3){3|C<3>}	129.2335	0.121	2	129.2335	0.015	2	129.2335	0.015	2	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Fe<4>,1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3){1|C<3>}	129.3495	0.250	2	129.1235	0.091	4	129.0594	0.142	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Fe<5>,1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3){1|C<3>}	128.8975	0.084	2	129.1235	0.091	4	129.0594	0.142	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Re<6>,1|H<1>}	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3){1|H<1>}	129.4300	0.000	1	129.4300	0.000	1	129.0594	0.142	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	128.6450	0.000	1	128.9027	0.204	4	129.0594	0.142	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|S<1>,2|C<3>}	128.7730	0.000	1	128.9027	0.204	4	129.0594	0.142	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<8>,1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|Rh<8>,2|C<3>}	129.5720	0.000	1	128.9027	0.204	4	129.0594	0.142	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<9>,1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|Rh<9>,2|C<3>}	128.6210	0.000	1	128.9027	0.204	4	129.0594	0.142	9	129.3014	9.289	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[6]C[6]N[6])(C[5]C[5]RuH)(C[5]O[5]C)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[6]C[6]N[6])(C[5]C[5]RuH)(C[5]O[5]C){1|C<4>,1|H<1>,2|C<3>}	135.6750	0.000	1	135.6750	0.000	1	135.6750	0.000	1	135.6750	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	B[5]-4:C[5]-3:H-1:	C[5](C[5]B[5]H)(O[5]B[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H)	C[5](C[5]B[5]H)(O[5]B[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H){1|N<3>,2|C<4>}	131.7760	0.000	1	131.7760	0.000	1	131.7760	0.000	1	130.8484	6.077	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(O[5]C[5,5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]2H)(C[5]O[5]C)(H)	C[5](C[5]C[5,5]H)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]2H)(C[5]O[5]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	132.0030	0.000	1	132.0030	0.000	1	132.0030	0.000	1	130.8484	6.077	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]C)(H){1|C<3>,1|S<4>,2|C<4>}	131.6100	0.536	2	131.6100	0.287	2	131.6100	0.287	2	130.8484	6.077	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]CH)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]CH)(C[5]O[5]C)(H){1|O<1>}	134.0020	0.000	1	134.0020	0.000	1	134.0020	0.000	1	130.8484	6.077	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(S[5]C[5,5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]S[5]C)(H)	C[5](C[5]C[5,5]H)(S[5]C[5,5])(CH3){1|Ti<8>,2|C<4>}	C(C[5]C[5]S[5])(H)3	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]S[5]C)(H){3|C<4>}	127.3410	0.000	1	127.3410	0.000	1	127.3410	0.000	1	130.8484	6.077	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]C)(H)	C[5](C[5]C[5,6]H)(S[5]C[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]C)(H){1|C<4>,3|C<3>}	127.5970	0.000	1	127.5970	0.000	1	127.5970	0.000	1	130.8484	6.077	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5](C[5]C[5,6]N)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO)	C[5](C[5]C[5,6]N)(N[5]O[5])(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]N[5]C)(NOO){1|C<3>,1|C<4>,4|H<1>}	128.8450	0.000	1	128.8450	0.000	1	128.8450	0.000	1	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]OV)(C[5]N[5]C)(CC[6a]N)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|O<2>,1|V<8>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]OV)(C[5]N[5]C)(CC[6a]N){1|C<3>}	130.0160	0.000	1	130.0160	0.000	1	128.1170	7.212	2	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]O[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]O[5])(CH3){2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	126.2180	0.000	1	126.2180	0.000	1	128.1170	7.212	2	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N)	C[5](C[5]C[5]2)(N[5]N[5])(CH3){1|N<3>,1|S<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]C[5]S)(C[5]N[5]C)(C[5]N[5]N){1|N<3>,1|O<1>,2|C<3>}	131.3040	0.000	1	131.3040	0.000	1	131.3040	0.000	1	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-3:	C[5](C[5]C[3,5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[3,5]C[3]2C[5])(C[5]O[5]C)(COO)	C[5](C[5]C[3,5]C)(O[5]C[5])(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[3,5]C[3]2C[5])(C[5]O[5]C)(COO){2|C<3>,4|H<1>}	133.9290	0.000	1	133.9290	0.000	1	133.9290	0.000	1	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-3:C-3:	C[5](C[5]C[4,5,6]C)(O[5]C[4,5,6])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[4,5,6]C[4,5,6]C[3,4]C[6])(C[5]O[5]C)(COO)	C[5](C[5]C[4,5,6]C)(O[5]C[4,5,6])(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[4,5,6]C[4,5,6]C[3,4]C[6])(C[5]O[5]C)(COO){1|O<1>,2|C<3>,3|C<4>}	131.7700	0.000	1	131.7700	0.000	1	131.7700	0.000	1	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]C)(CCO)	C[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(CH3){1|O<2>,3|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]C)(CCO){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	135.3900	0.000	2	135.3900	0.000	2	135.3900	0.000	2	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(O[5]C[3x5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]C)(CCO)	C[5](C[5]C[5,5]C)(O[5]C[3x5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5])(H)3	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]C)(CCO){1|C<3>,2|C<4>}	132.4640	0.000	1	132.4640	0.000	1	133.2803	0.501	3	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]C)(CCO)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]C)(CCO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	133.6510	0.000	1	133.6510	0.000	1	133.2803	0.501	3	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]C)(CCO)	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]C)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	133.7260	0.000	1	133.7260	0.000	1	133.2803	0.501	3	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CCO)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CCO){1|C<3>,1|O<2>,3|H<1>}	134.6140	0.000	1	134.6140	0.000	1	134.6140	0.000	1	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO){1|C<3>,1|H<1>}	131.7580	0.000	1	131.7580	0.000	1	132.0210	1.115	9	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]CN)(C[5]O[5]C)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]CN)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	131.1790	0.000	1	131.1790	0.000	1	132.0210	1.115	9	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]CO)(C[5]O[5]C)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<2>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5]CO)(C[5]O[5]C)(CCO){1|C<4>,1|O<2>}	132.8560	0.000	1	132.8560	0.000	1	132.0210	1.115	9	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5a]C[5]H)(C[5]O[5]C)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[5a]C[5]H)(C[5]O[5]C)(COO){2|C<3>,2|H<1>}	132.5970	0.000	1	132.5970	0.000	1	132.0210	1.115	9	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(CCO){1|H<1>,3|C<3>}	130.9285	1.603	2	130.9285	2.570	2	132.0210	1.115	9	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(COO){2|C<3>,2|H<1>}	132.0940	0.000	1	132.2540	0.051	2	132.0210	1.115	9	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(COO){1|C<4>,3|C<3>}	132.4140	0.000	1	132.2540	0.051	2	132.0210	1.115	9	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]N)(C[5]O[5]C)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]N)(C[5]O[5]C)(COO){1|O<1>,2|C<3>}	133.4340	0.000	1	133.4340	0.000	1	132.0210	1.115	9	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]C)	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(CH3){1|Zr<13>,2|C<3>,2|C<4>}	C(C[5]C[5]S[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]C){2|C<3>,2|H<1>,3|C<4>}	128.3895	0.831	2	128.3895	0.690	2	128.3895	0.690	2	131.8385	5.564	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]GdO)(C[5]N[5]C)(CGdCO)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Gd<14>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]GdO)(C[5]N[5]C)(CGdCO){1|C<3>}	130.3740	0.868	2	130.3740	0.754	2	130.7682	0.695	6	130.8969	1.991	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]TbO)(C[5]N[5]C)(CTbCO)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Tb<14>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]TbO)(C[5]N[5]C)(CTbCO){1|C<3>}	130.8165	0.388	2	130.8165	0.151	2	130.7682	0.695	6	130.8969	1.991	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]TmO)(C[5]N[5]C)(CTmCO)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Tm<14>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]TmO)(C[5]N[5]C)(CTmCO){1|C<3>}	131.1140	1.420	2	131.1140	2.016	2	130.7682	0.695	6	130.8969	1.991	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:4:	C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]S)(O[5]C[5])(CH3)	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(SC[6a]OO)	C[5](C[5]C[5]S)(O[5]C[5])(CH3){1|C<3>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	133.5260	0.000	1	133.5260	0.000	1	133.5260	0.000	1	130.8969	1.991	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(S[5]C[5,5])(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]S[5]C)(CH3)	C[5](C[5]C[5,5]C)(S[5]C[5,5])(CH3){1|Zr<11>,2|C<4>}	C(C[5]C[5]S[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]S[5]C)(CH3){3|C<4>}	129.0400	0.000	1	129.0400	0.000	1	129.0400	0.000	1	130.8969	1.991	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:5:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:P-5:	C[5](C[5]C[5]P)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CeO)(C[5]N[5]C)(PCeO3)	C[5](C[5]C[5]P)(N[5]N[5])(CH3){1|Ce<13>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CeO)(C[5]N[5]C)(PCeO3){1|C<3>}	127.4040	0.164	3	127.3858	0.019	4	127.3858	0.019	4	127.3858	0.019	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:5:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:P-5:	C[5](C[5]C[5]P)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CeO)(C[5]N[5]C)(PCeO3)	C[5](C[5]C[5]P)(N[5]N[5])(CH3){1|Ce<16>,1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CeO)(C[5]N[5]C)(PCeO3){1|C<3>}	127.3310	0.000	1	127.3858	0.019	4	127.3858	0.019	4	127.3858	0.019	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	5:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-5:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]Gd2O)(C[5]N[5]C)(CGdCO)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Gd<14>,1|C<3>,1|O<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]Gd2O)(C[5]N[5]C)(CGdCO){1|C<3>}	129.7570	0.000	1	129.7570	0.000	1	129.9407	0.101	3	129.9407	0.101	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	5:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-5:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]Tb2O)(C[5]N[5]C)(CTbCO)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Tb<14>,1|C<3>,1|O<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]Tb2O)(C[5]N[5]C)(CTbCO){1|C<3>}	130.3070	0.000	1	130.3070	0.000	1	129.9407	0.101	3	129.9407	0.101	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:1:1:1:	5:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-5:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]Tm2O)(C[5]N[5]C)(CTmCO)	C[5](C[5]C[5]C)(N[5]N[5])(CH3){2|Tm<14>,1|C<3>,1|O<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]Tm2O)(C[5]N[5]C)(CTmCO){1|C<3>}	129.7580	0.000	1	129.7580	0.000	1	129.9407	0.101	3	129.9407	0.101	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[5]Se[5]H)(N[5]C[5])(CHHO)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]C)(Se[5]C[5])(H)	C[5](C[5]Se[5]H)(N[5]C[5])(CHHO){1|C<3>}	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]C)(Se[5]C[5])(H){1|C<3>}	124.0050	0.000	1	124.0050	0.000	1	124.0050	0.000	1	124.0050	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	125.7022	1.019	6	126.0519	0.681	14	126.5082	1.196	22	126.7235	1.009	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|S<1>}	C(C[5]C[5]S[5])(OC[6a])(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|S<1>}	126.3141	0.583	8	126.0519	0.681	14	126.5082	1.196	22	126.7235	1.009	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C(C[5]C[5]S[5])(OH)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO)	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	C(C[5]C[5]S[5])(OH)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHO){1|C<3>}	127.3069	1.085	8	127.3069	1.177	8	126.5082	1.196	22	126.7235	1.009	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|C<3>}	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|C<3>}	127.2542	0.274	6	127.1971	0.323	10	127.1971	0.323	10	126.7235	1.009	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS)	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|S<1>}	C(C[5]C[5]S[5])(SC)(H)2	C[5](C[5]S[5]C)(S[5]C[5])(CHHS){1|S<1>}	127.1115	0.910	4	127.1971	0.323	10	127.1971	0.323	10	126.7235	1.009	32	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5])(CHHO)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5])(CHHO){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	130.1410	0.327	2	130.1410	0.107	2	130.1410	0.107	2	124.8160	85.120	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:3:1:	C[5]-3:Se[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO)	C(C[5]Se[5]C[5])(OH)(H)2	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO){1|N<3>,2|H<1>}	C(C[5]Se[5]C[5])(OH)(H)2	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	124.8160	85.120	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:2:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CHHO)	C(C[5]C[5]N[5])(OC[5a])(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(N[5]N[5])(CHHO){1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(OC[5a])(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C){1|C<3>}	125.1630	0.000	1	125.1630	0.000	1	125.1630	0.000	1	125.1630	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CHHN)	C(C[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHHN){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	131.4700	0.618	5	131.4700	0.382	5	132.1387	1.584	7	131.1908	4.772	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5])(CHHN)	C(C[5]C[5]N[5])(NCC)(H)2	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5])(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NCC)(H)2	C[5](C[5]N[5]C)2(H)	133.8105	0.390	2	133.8105	0.152	2	132.1387	1.584	7	131.1908	4.772	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:P-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	127.8730	0.602	2	127.8730	0.363	2	127.8730	0.363	2	131.1908	4.772	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO){1|C<4>}	127.0310	0.000	1	127.0310	0.000	1	127.0310	0.000	1	124.5685	12.128	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:P-3:H-1:H-1:	C[5]-3:C[5]-3:P-3:	C[5](C[5]C[5]P)(N[5]P[5])(CHHP)	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]N[5]C)(C[5]P[5]N)(PCC)	C[5](C[5]C[5]P)(N[5]P[5])(CHHP){1|N<2>,2|C<4>}	C(C[5]C[5]N[5])(PCC)(H)2	C[5](C[5]N[5]C)(C[5]P[5]N)(PCC){2|C<4>}	122.1060	0.000	1	122.1060	0.000	1	122.1060	0.000	1	124.5685	12.128	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(COO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|S<1>}	C(C[5]C[5]S[5])(COO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|S<1>}	129.1620	0.000	1	129.1620	0.000	1	129.1620	0.000	1	129.1620	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:2:1:	3:3:1:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]Se[5]C)(C[5]C[5]I)(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO){1|C<3>,1|I<1>}	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]Se[5]C)(C[5]C[5]I)(H){1|C<3>}	129.1230	0.263	2	129.1230	0.069	2	129.1230	0.069	2	129.1230	0.069	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:3:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C)	C(C[5]C[5]N[5])3(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]2C){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])3(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	130.5473	0.915	3	130.5473	0.837	3	130.5473	0.837	3	130.5473	0.837	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:4:1:	3:3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5]){2|C<3>,2|H<1>}	125.3850	0.884	4	125.3850	0.782	4	126.1984	0.878	10	126.1984	0.878	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:4:1:	3:3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5]){2|C<3>,2|H<1>}	126.5070	0.613	3	126.5070	0.376	3	126.1984	0.878	10	126.1984	0.878	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:4:1:	3:3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5]){2|C<3>,2|H<1>}	126.9743	0.187	3	126.9743	0.035	3	126.1984	0.878	10	126.1984	0.878	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:4:2:	3:2:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO)	C(C[5]C[5]S[5])2(CH3)(OH)	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(S[5]C[5])(CC[5]CO){1|C<3>}	C(C[5]C[5]S[5])2(CH3)(OH)	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>}	127.6960	1.148	2	127.6960	1.319	2	127.6960	1.319	2	127.6960	1.319	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	129.2260	0.000	1	129.2260	0.000	1	128.7128	5.147	6	128.7128	5.147	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5]N[5])2(CCHH)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])2(CCHH)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	129.6365	1.204	4	129.6365	1.451	4	128.7128	5.147	6	128.7128	5.147	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:3:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5]N[5])2(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])2(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	124.5050	0.000	1	124.5050	0.000	1	128.7128	5.147	6	128.7128	5.147	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5])(H)	C[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5])(H){1|H<1>}	130.7065	2.702	2	130.7065	7.300	2	130.7065	7.300	2	130.7065	7.300	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:2:4:	C[5]-3:O[5]-2:C-4:	C[5]-3:B-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]O[5]C)(O[5]C[5])(CBHH)	C(C[5]C[5]O[5])(BC[6a]3)(H)2	C[5](C[5]O[5]C)(O[5]C[5])(CH3)	C[5](C[5]O[5]C)(O[5]C[5])(CBHH){1|C<3>}	C(C[5]C[5]O[5])(BC[6a]3)(H)2	C[5](C[5]O[5]C)(O[5]C[5])(CH3){1|C<3>}	135.8500	0.000	1	135.8500	0.000	1	135.8500	0.000	1	135.8500	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CCHH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCHH){1|H<1>}	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	128.2370	0.000	1	128.2370	0.000	1	128.2370	0.000	1	131.3776	4.944	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	128.7480	0.000	1	128.7480	0.000	1	128.7480	0.000	1	131.3776	4.944	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CHHN)	C(C[5]C[5]N[5])(NCCH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHHN){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(NCCH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	131.4175	0.312	2	131.4175	0.097	2	131.4175	0.097	2	131.3776	4.944	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Cu)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(PC[6a]2Cu)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	132.1480	1.662	7	132.1480	2.764	7	132.0288	2.483	8	131.3776	4.944	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CHHP)	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHHP){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	131.1940	0.000	1	131.1940	0.000	1	132.0288	2.483	8	131.3776	4.944	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:P[6]-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH)	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CP[6]HH){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(P[6]O[6]2O)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<4>}	131.7930	1.904	2	131.7930	3.623	2	131.7930	3.623	2	131.3776	4.944	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]N[5])(CCHH)	C(C[5]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	C(C[5]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]O[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	134.5195	0.226	2	134.5195	0.051	2	134.5195	0.051	2	131.3776	4.944	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH){2|C<3>}	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H){1|H<1>,2|C<3>}	128.0610	0.799	2	128.0610	0.638	2	128.0610	0.638	2	131.3776	4.944	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]Se[5]C)(N[5]N[5])	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH){1|C<3>,1|N<2>}	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]Se[5]C)(N[5]N[5]){1|Se<2>,1|C<4>,1|N<2>}	130.2610	4.794	2	130.2610	22.984	2	130.2610	22.984	2	130.2610	22.984	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:P[5]-3:C-4:	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(P[5]N[5]W)(CH3)	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Si<4>,1|W<6>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(P[5]N[5]W)(CH3){1|Si<4>}	124.8710	2.154	2	124.8710	4.639	2	124.8710	4.639	2	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](P[5]N[5]Cr)(C[5]N[5]C)(CH3)	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Cr<6>,1|Si<4>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](P[5]N[5]Cr)(C[5]N[5]C)(CH3){1|Si<4>}	124.1080	1.007	2	124.1080	1.014	2	124.0400	0.694	4	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](P[5]N[5]Mo)(C[5]N[5]C)(CH3)	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Mo<6>,1|Si<4>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](P[5]N[5]Mo)(C[5]N[5]C)(CH3){1|Si<4>}	123.9720	1.024	2	123.9720	1.048	2	124.0400	0.694	4	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:P[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(P[5]C[5])(CCHH)	C(C[5]C[5]P[5])(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C[5](C[5]C[5]C)(P[5]C[5])(CCHH){2|C<4>}	C(C[5]C[5]P[5])(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<4>}	125.5533	0.566	8	125.5533	0.320	8	125.5533	0.320	8	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	127.3580	0.000	1	127.3580	0.000	1	128.1984	0.436	16	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	128.2092	0.642	14	128.2545	0.414	15	128.1984	0.436	16	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){2|C<4>}	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<4>}	128.8880	0.000	1	128.2545	0.414	15	128.1984	0.436	16	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH)	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)(CH3)	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH){1|H<1>,2|C<4>}	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	128.6920	0.000	1	128.6920	0.000	1	128.6920	0.000	1	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|Re<6>,1|H<1>}	C(C[5]C[5]S[5])(CHHO)(H)2	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3){1|H<1>}	129.6320	0.000	1	129.6320	0.000	1	129.6320	0.000	1	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH){1|C<4>}	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	125.6797	0.405	3	125.6797	0.164	3	125.6797	0.164	3	126.7676	3.318	35	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCHH)	C(C[5]C[5]O[5])(CCCO)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]C)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCHH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5])(CCCO)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]C)(H){1|C<3>,2|C<4>}	133.5060	0.000	1	133.5060	0.000	1	133.5060	0.000	1	130.4030	19.257	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH)	C(C[5]C[5]O[5])(CH3)(H)2	C[5](C[5]Ge[5]HH)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5])(CH3)(H)2	C[5](C[5]Ge[5]HH)(C[5]O[5]C)(H){1|C<4>,1|O<2>}	127.3000	0.000	1	127.3000	0.000	1	127.3000	0.000	1	130.4030	19.257	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	4:3:2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[3]-4:C[5]-3:N[5]-2:	C[5](C[5]C[3]N[5])(Se[5]N[5])(CCHH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[3]C[3]2H)(C[5]Se[5]C)(N[5]N[5])	C[5](C[5]C[3]N[5])(Se[5]N[5])(CCHH){1|H<1>,2|C<4>}	C(C[5]Se[5]C[5])(CCHH)(H)2	C[5](C[3]C[3]2H)(C[5]Se[5]C)(N[5]N[5]){1|C<4>,3|H<1>}	127.4840	0.000	1	127.4840	0.000	1	127.4840	0.000	1	127.4840	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CCHH)	C(C[5]C[5]O[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]C)(COO)	C[5](C[5]C[5,5]C)(O[5]C[5,5])(CCHH){2|C<4>,2|H<1>}	C(C[5]C[5]O[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]C)(COO){2|C<4>,3|H<1>}	131.0990	0.000	1	131.0990	0.000	1	131.0990	0.000	1	130.4485	0.846	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:1:1:	4:3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(S[5]C[5])(CCHH)	C(C[5]C[5]S[5])(CCCH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(COO)	C[5](C[5]C[5,5]C)(S[5]C[5])(CCHH){1|N<2>,2|N<3>}	C(C[5]C[5]S[5])(CCCH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(COO){2|N<2>,3|C<3>}	129.7980	0.000	1	129.7980	0.000	1	129.7980	0.000	1	130.4485	0.846	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:3:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCCH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>}	128.7830	0.000	1	128.7830	0.000	1	128.7830	0.000	1	128.7830	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C[5](C[5]N[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5])(CCCH){2|C<4>}	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C[5](C[5]N[5]C)(O[5]C[5])(O){2|C<4>}	123.9430	0.000	1	123.9430	0.000	1	123.9430	0.000	1	123.9430	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:1:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C[5](C[5]C[5]O)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH){1|O<1>,2|C<4>}	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C[5](C[5]C[5]O)(C[5]O[5]C)(H){2|C<4>}	131.0230	0.000	1	131.0230	0.000	1	131.0230	0.000	1	131.0230	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:1:	4:3:3:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCCH)	C(C[5]C[5]O[5])(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO)	C[5](C[5]C[5]C)(O[5]C[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5])(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO){2|C<3>}	134.0410	0.000	1	134.0410	0.000	1	134.0410	0.000	1	134.0410	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:2:4:	C[5]-3:P[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:P[5]-2:C-4:	C[5](C[5]P[5]C)(P[5]C[5])(CC3)	C(C[5]C[5]P[5])(CH3)3	C[5](C[5]P[5]C)(P[5]C[5])(CC3)	C[5](C[5]P[5]C)(P[5]C[5])(CC3){1|C<4>}	C(C[5]C[5]P[5])(CH3)3	C[5](C[5]P[5]C)(P[5]C[5])(CC3){1|C<4>}	130.9952	2.725	4	130.9952	7.425	4	130.9952	7.425	4	130.9952	7.425	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-3:C[5]-3:Br-1:	C[5](C[5]C[5,5]Br)(N[5]C[5,5,6])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Br)	C[5](C[5]C[5,5]Br)(N[5]C[5,5,6])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Br){1|N<2>,3|C<4>}	126.0500	0.000	1	126.0500	0.000	1	126.0500	0.000	1	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5,5]Cl)(N[5]C[5,5,6])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl)	C[5](C[5]C[5,5]Cl)(N[5]C[5,5,6])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5,5]C[5,5,6]C[5])(C[5]N[5]C)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	127.0380	0.000	1	127.0380	0.000	1	127.0380	0.000	1	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	130.4080	0.000	1	130.4080	0.000	1	130.8240	0.346	2	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]P)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC3){1|C<4>,1|P<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]P)(C[5]N[5]C)(H){1|C<4>}	131.2400	0.000	1	131.2400	0.000	1	130.8240	0.346	2	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5])(CC3){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	129.6870	0.000	1	129.6870	0.000	1	129.6870	0.000	1	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	S[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]H)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](S[5]C[5]Pd)(C[5]N[5]C)(H)	C[5](C[5]S[5]H)(N[5]C[5])(CC3){1|Pd<4>,1|N<2>}	C(C[5]C[5]N[5])(CH3)3	C[5](S[5]C[5]Pd)(C[5]N[5]C)(H){1|N<2>}	126.9820	0.000	1	126.9820	0.000	1	126.9820	0.000	1	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC)	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]CC){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	127.1565	0.371	2	127.1565	0.138	2	127.1565	0.138	2	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(O[5]N[5,6])(CC3)	C(C[5]C[5]O[5])(CH3)3	C[5](C[5,6]N[5,6]N[6])(C[5]O[5]C)(H)	C[5](C[5]C[5,6]H)(O[5]N[5,6])(CC3){1|C<4>,1|N<2>}	C(C[5]C[5]O[5])(CH3)3	C[5](C[5,6]N[5,6]N[6])(C[5]O[5]C)(H){2|C<4>}	134.4890	0.000	1	134.4890	0.000	1	134.4890	0.000	1	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C(C[5]C[5]O[5])(CH3)3	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H)	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5])(CH3)3	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	131.5180	0.052	2	131.9503	0.755	6	131.9503	0.755	6	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C(C[5]C[5]O[5])(CH3)3	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H)	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|N<2>,1|O<2>}	C(C[5]C[5]O[5])(CH3)3	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	132.9950	0.304	2	131.9503	0.755	6	131.9503	0.755	6	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C(C[5]C[5]O[5])(CH3)3	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H)	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5])(CH3)3	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	131.3380	0.612	2	131.9503	0.755	6	131.9503	0.755	6	130.1273	7.007	15	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:2:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CC)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CC){2|C<3>,2|C<4>}	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrC)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrC){2|C<3>,2|C<4>}	123.5830	0.000	1	123.5830	0.000	1	123.5830	0.000	1	123.5830	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5])(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	127.7715	0.511	2	127.7715	0.261	2	126.4123	3.297	4	128.8245	20.530	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|O<2>}	126.1110	0.000	1	126.1110	0.000	1	126.4123	3.297	4	128.8245	20.530	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]Si[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrCC)	C[5](C[5]C[5]C)(N[5]Si[5])(CC3){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrCC){2|C<3>,2|C<4>}	123.9950	0.000	1	123.9950	0.000	1	126.4123	3.297	4	128.8245	20.530	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]P)(N[5]C[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]C)(PMoCC)	C[5](C[5]C[5]P)(N[5]C[5])(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]C)(PMoCC){1|C<4>}	137.0350	0.000	1	137.0350	0.000	1	137.0350	0.000	1	128.8245	20.530	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:4:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:Si-4:	C[5](C[5]N[5]Si)(N[5]N[5])(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](N[5]N[5]Sm)(C[5]N[5]C)(SiC3)	C[5](C[5]N[5]Si)(N[5]N[5])(CC3){1|Sm<13>}	C(C[5]C[5]N[5])(CH3)3	C[5](N[5]N[5]Sm)(C[5]N[5]C)(SiC3)	130.2630	0.000	1	130.2630	0.000	1	130.2630	0.000	1	128.8245	20.530	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	4:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	N[4,5,5]-4:C[5]-3:H-1:	C[5](C[5]N[4,5,5]H)(O[5]P[4,5,5])(CC3)	C(C[5]C[5]O[5])(CH3)3	C[5](N[4,5,5]P[4,5,5]B[4,5a]C[5])(C[5]O[5]C)(H)	C[5](C[5]N[4,5,5]H)(O[5]P[4,5,5])(CC3){1|B<4>,1|C<3>,1|N<3>,2|O<2>}	C(C[5]C[5]O[5])(CH3)3	C[5](N[4,5,5]P[4,5,5]B[4,5a]C[5])(C[5]O[5]C)(H){1|C<3>,1|H<1>,1|N<3>,4|O<2>}	131.6325	0.012	2	131.6325	0.000	2	131.6325	0.000	2	131.6325	0.000	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	4:3:2:	C[5]-3:O[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-4:C[5]-3:C-2:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CC3)	C(C[5]C[5]O[5])(CH3)3	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]C)(CN)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5]C[5]O[5])(CH3)3	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]C)(CN){1|C<4>,1|N<2>,2|C<3>}	134.8950	0.000	1	134.8950	0.000	1	134.8950	0.000	1	134.8950	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	3:4:4:4:	4:3:3:	C[5]-3:S[5]-2:C-4:	C[5]-3:C-4:C-4:C-4:	B[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]B[5])(S[5]C[5])(CC3)	C(C[5]C[5]S[5])(CH3)3	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C)	C[5](C[5]C[6a]B[5])(S[5]C[5])(CC3){5|C<3>}	C(C[5]C[5]S[5])(CH3)3	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C){2|F<1>,7|C<3>}	132.2210	0.000	1	132.2210	0.000	1	132.2210	0.000	1	132.2210	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:2:4:	4:3:3:1:	4:3:1:	C[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H){1|O<1>}	135.8230	0.000	1	135.8230	0.000	1	135.8230	0.000	1	135.8230	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6,6]C[4,5,6,6]C[4,6,6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](O[5]C[4,5,6,6])(C[5]C[5,6,6]C)(O)	C[5](C[5,6,6]C[4,5,6,6]C[4,6,6])(C[5]O[5]O)(CH3){1|H<1>,4|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	C[5](O[5]C[4,5,6,6])(C[5]C[5,6,6]C)(O){3|C<4>}	122.3255	0.889	2	122.3255	0.790	2	122.3255	0.790	2	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[3,5,6]C[3,6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[3,5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[3,5,6]C[3,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[3,5,6])(C[5]C[5,6]C)(O){1|O<2>,2|C<4>}	121.5010	0.000	1	121.5010	0.000	1	121.6407	1.462	7	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[4,5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[4,5,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[4,5,6])(C[5]C[5,6]C)(O){3|C<4>}	121.7825	0.426	2	121.7825	0.182	2	121.6407	1.462	7	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[5,5,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[5,5,6])(C[5]C[5,6]C)(O){1|O<2>,2|C<4>}	121.5705	0.366	2	121.5705	0.134	2	121.6407	1.462	7	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O){1|C<3>,2|C<4>}	119.5910	0.000	1	121.6390	8.389	2	121.6407	1.462	7	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CH3){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](O[5]C[5,6,6])(C[5]C[5,6]C)(O){3|C<4>}	123.6870	0.000	1	121.6390	8.389	2	121.6407	1.462	7	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH)	C(C[5]C[5]2)(Cl)(H)2	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH){2|C<4>}	C(C[5]C[5]2)(Cl)(H)2	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|H<1>,2|C<4>}	122.4560	0.181	2	122.4560	0.033	2	122.4560	0.033	2	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3)	C(C[5]C[5]2)(F)3	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3){2|C<3>,2|C<4>}	C(C[5]C[5]2)(F)3	C[5](O[5]C[5,5])(C[5]C[5]C)(O){1|C<3>,2|C<4>}	121.0590	0.000	1	121.0590	0.000	1	121.0590	0.000	1	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,5])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>}	129.3995	1.436	2	129.3995	2.062	2	129.6050	1.158	3	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:H-1:	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(H){1|O<1>,2|C<4>}	130.0160	0.000	1	130.0160	0.000	1	129.6050	1.158	3	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	119.6627	0.300	7	119.6627	0.090	7	120.7191	1.948	13	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|C<3>,2|C<4>}	121.6200	0.000	1	121.6200	0.000	1	120.7191	1.948	13	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.1530	0.000	1	121.5233	0.297	4	120.7191	1.948	13	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	121.6467	0.595	3	121.5233	0.297	4	120.7191	1.948	13	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|O<2>,2|C<4>}	123.9960	0.000	1	123.9960	0.000	1	120.7191	1.948	13	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	S[5]-2:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](S[5]C[5,5])(C[5]N[5]C)(H)	C[5](N[5]C[5,5]C)(C[5]S[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](S[5]C[5,5])(C[5]N[5]C)(H){1|C<3>,2|C<4>}	124.1730	0.000	1	124.1730	0.000	1	124.1730	0.000	1	122.2222	8.423	29	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](O[5]C[5,5])(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	128.4770	0.000	1	128.4770	0.000	1	128.4770	0.000	1	128.4770	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|C<3>,1|C<4>,1|H<1>}	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[3,6]C[5,6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	122.0860	0.000	1	122.0860	0.000	1	121.1392	0.796	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]2)(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	120.4995	1.191	2	120.4995	1.420	2	121.1392	0.796	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){3|C<4>}	119.7830	0.305	2	119.7830	0.093	2	121.1392	0.796	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	121.9675	0.156	2	121.3566	0.520	14	121.1392	0.796	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>,1|H<1>}	120.5990	0.000	1	121.3566	0.520	14	121.1392	0.796	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	121.3155	0.145	4	121.3566	0.520	14	121.1392	0.796	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|H<1>,2|C<4>}	120.0700	0.000	1	121.3566	0.520	14	121.1392	0.796	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|O<2>,2|C<4>}	121.5212	0.840	6	121.3566	0.520	14	121.1392	0.796	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|Br<1>,1|C<3>}	120.9053	0.425	6	120.9053	0.181	6	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	118.4290	0.000	1	120.6300	2.164	11	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	119.3665	2.566	2	120.6300	2.164	11	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	120.7480	0.000	1	120.6300	2.164	11	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<2>,1|C<4>,1|H<1>}	122.5770	0.000	1	120.6300	2.164	11	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	122.1350	0.000	1	120.6300	2.164	11	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>}	120.5520	0.000	1	120.6300	2.164	11	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|N<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|N<2>}	121.4290	0.000	1	120.6300	2.164	11	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	120.7757	0.344	3	120.6300	2.164	11	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	122.9430	0.000	1	121.7096	1.336	38	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	121.9939	1.048	15	121.7096	1.336	38	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	121.3083	1.409	12	121.7096	1.336	38	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	121.0190	0.000	1	121.7096	1.336	38	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,2|H<1>}	121.4448	0.943	5	121.7096	1.336	38	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	122.0422	0.955	4	121.7096	1.336	38	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,1|N<3>}	118.0574	0.466	5	118.0574	0.217	5	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<2>}	119.9990	0.000	1	119.9990	0.000	1	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>}	120.9820	0.000	1	120.9820	0.000	1	121.1064	2.248	62	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-2:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5])(H){1|C<4>,1|H<1>}	125.0715	0.220	2	125.0715	0.048	2	125.0715	0.048	2	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:O-1:	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(S[5]C[5])(O)	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(S[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>}	120.3810	0.000	1	120.5000	0.028	2	120.5000	0.028	2	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:O-1:	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(S[5]C[5])(O)	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(S[5]C[5])(O){1|O<2>,2|H<1>}	120.6190	0.000	1	120.5000	0.028	2	120.5000	0.028	2	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:Cl-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CClHH)	C(C[5]C[5]N[5])(Cl)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CClHH){1|N<3>}	C(C[5]C[5]N[5])(Cl)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|N<3>}	127.5510	0.222	2	127.5510	0.049	2	127.5510	0.049	2	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]B)(CH3){1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|B<4>,1|S<2>}	125.8685	1.068	6	125.8685	1.141	6	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<3>,1|C<4>}	127.5650	0.000	1	126.7223	0.470	8	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<1>}	126.4042	0.443	4	126.7223	0.470	8	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<2>}	125.9770	0.000	1	126.7223	0.470	8	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<3>}	127.3095	0.585	2	126.7223	0.470	8	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3){1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|N<3>}	130.0930	0.836	7	129.9170	0.983	9	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3){1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|S<2>}	129.3010	1.640	2	129.9170	0.983	9	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3){1|S<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|O<2>,1|S<1>}	128.6020	0.397	2	128.7503	0.145	3	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3){1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|O<2>,1|S<2>}	129.0470	0.000	1	128.7503	0.145	3	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]W)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|W<7>}	123.9670	0.378	2	125.5817	3.530	4	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]W)(CH3){1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|S<2>,1|W<9>}	127.1965	0.135	2	125.5817	3.530	4	127.5607	4.153	30	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(CH3)	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(CH3){1|N<2>,1|N<3>,2|F<1>}	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H){1|B<4>,1|N<2>}	128.2115	0.173	2	128.2115	0.030	2	127.9780	0.179	3	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CH3)	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H){1|C<4>,1|N<3>}	127.5110	0.000	1	127.5110	0.000	1	127.9780	0.179	3	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Cd)(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Cd)(C[5]S[5]H)(CH3){1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Cd<4>,1|N<3>}	126.9370	0.701	2	126.9370	0.492	2	126.1001	2.051	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Co)(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Co)(C[5]S[5]H)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Co<6>,1|C<3>}	125.8607	1.280	3	125.8607	1.638	3	126.1001	2.051	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Cr)(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Cr)(C[5]S[5]H)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Cr<6>,1|C<3>}	125.7463	0.554	3	125.7463	0.307	3	126.1001	2.051	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Fe)(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Fe)(C[5]S[5]H)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Fe<6>,1|C<3>}	125.3797	0.625	3	125.3797	0.391	3	126.1001	2.051	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Ni<6>,1|C<3>}	124.6690	0.000	1	124.7435	0.011	2	126.1001	2.051	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CH3){1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Ni<6>,1|H<1>}	124.8180	0.000	1	124.7435	0.011	2	126.1001	2.051	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Pd)(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Pd)(C[5]S[5]H)(CH3){1|N<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Pd<4>,1|N<2>}	123.7910	0.000	1	123.7910	0.000	1	126.1001	2.051	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(CH3){1|N<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<3>,1|N<2>}	127.5580	1.466	5	127.5580	2.149	5	126.1001	2.051	19	123.4649	10.876	140	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-2:	C[5](C[5]C[5]Au)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(OB)	C[5](C[5]C[5]Au)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(OB){1|Au<2>,1|C<4>,1|H<1>}	121.0460	0.000	1	121.0460	0.000	1	121.6630	0.304	3	121.6630	0.304	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-2:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(OB)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(OB){1|H<1>,2|C<4>}	121.9715	0.194	2	121.9715	0.038	2	121.6630	0.304	3	121.6630	0.304	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(N[5]C[5,5])(CC[5a]H)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(N[5]C[5,5])(CC[5a]H){2|C<3>}	126.4150	0.000	1	126.4150	0.000	1	126.4150	0.000	1	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:Br-1:H-1:H-1:	C[5]-3:Se[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH)	C(C[5]C[5,6a]C[5])(Br)(H)2	C[5](C[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(Br)(H)2	C[5](C[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6a]O){2|C<3>}	125.5350	0.000	1	125.5350	0.000	1	125.5350	0.000	1	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	124.9604	0.848	5	124.9604	0.720	5	125.1146	0.472	12	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	125.2110	0.649	6	125.2110	0.421	6	125.1146	0.472	12	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	125.3070	0.000	1	125.3070	0.000	1	125.1146	0.472	12	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3){1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|Br<1>,1|O<1>}	125.1250	0.000	1	125.1250	0.000	1	123.9592	0.695	4	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H)	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3){1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	123.9550	0.000	1	123.9550	0.000	1	123.9592	0.695	4	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3){1|O<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<3>,1|O<1>}	123.3785	0.226	2	123.3785	0.051	2	123.9592	0.695	4	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5])(CC[5]O)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5])(CC[5]O){1|C<3>,1|C<4>}	122.5520	0.054	2	122.5520	0.003	2	122.5520	0.003	2	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a]-3:O[5]-2:C[5]-3:	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C)	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	130.2445	0.090	2	130.2445	0.008	2	130.2445	0.008	2	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]O[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]O[5])(CHN)	C[5](C[5]N[5]C)(N[5]O[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]O[5])(CHN){1|O<1>}	132.9209	0.592	10	132.9209	0.350	10	132.9209	0.350	10	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(COO)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|N<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(COO){1|C<4>,1|N<2>}	127.9850	0.000	1	127.9850	0.000	1	129.5467	2.366	3	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(COO)	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(COO){1|H<1>,1|N<3>}	129.5950	0.000	1	129.5950	0.000	1	129.5467	2.366	3	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCO)	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCO){1|C<4>,1|O<1>}	131.0600	0.000	1	131.0600	0.000	1	129.5467	2.366	3	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3)	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(COO)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3){1|N<2>,1|O<2>,2|F<1>}	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(COO){1|B<4>,1|N<2>}	128.0950	0.000	1	128.0950	0.000	1	128.3740	0.156	2	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3)	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CCO)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CCO){1|C<4>,1|N<2>}	128.6530	0.000	1	128.6530	0.000	1	128.3740	0.156	2	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCO)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|N<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCO){1|C<3>,1|N<2>}	129.6710	0.297	2	129.4232	0.452	4	129.4232	0.452	4	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCO)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCO){2|C<3>}	129.1755	1.010	2	129.4232	0.452	4	129.4232	0.452	4	127.9767	12.940	41	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CC3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	127.6770	0.000	1	127.6770	0.000	1	127.6770	0.000	1	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-2:Si-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5])(SiC3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5])(SiC3){1|Si<4>,1|C<4>}	123.7525	0.262	2	123.7525	0.069	2	123.7525	0.069	2	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){2|C<4>}	128.0520	0.000	1	128.0506	0.435	15	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|C<4>,1|H<1>}	128.0505	0.684	14	128.0506	0.435	15	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|C<4>}	126.8750	0.323	3	126.7296	0.672	8	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|H<1>}	127.2340	1.766	2	126.7296	0.672	8	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<2>}	126.0190	0.000	1	126.7296	0.672	8	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<4>}	126.3625	0.179	2	126.7296	0.672	8	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|N<3>}	128.5150	0.000	1	129.0465	0.565	2	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|S<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|S<1>}	129.5780	0.000	1	129.0465	0.565	2	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3){1|S<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|O<2>,1|S<1>}	129.6620	0.000	1	129.6620	0.000	1	127.7827	1.121	26	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:P[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(P[5]N[5]W)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C[5](C[5]N[5]C)(P[5]N[5]W)(CH3){1|Si<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Si<4>,1|W<6>}	124.4250	0.199	2	124.4250	0.040	2	124.4250	0.040	2	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:S[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(S[5]C[5]W)(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(S[5]C[5]W)(CH3){1|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]S[5]C)(S[5]C[5])(CH3){1|C<3>,1|W<6>}	127.6700	0.000	1	127.6700	0.000	1	127.6700	0.000	1	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)(CH3)	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH){1|H<1>,2|C<4>}	127.1160	0.000	1	127.1160	0.000	1	127.1160	0.000	1	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3)	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3){1|N<2>,1|O<2>,2|F<1>}	C(C[5]N[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	127.6160	0.000	1	127.6160	0.000	1	127.6160	0.000	1	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3)	C(C[5]N[5,6a]C[5])(H)3	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(CH3){3|C<3>}	C(C[5]N[5,6a]C[5])(H)3	C[5](C[5]N[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	123.5545	0.030	2	123.5545	0.001	2	123.5545	0.001	2	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C[5](N[5]C[5]Al)(C[5]O[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	C[5](N[5]C[5]Al)(C[5]O[5]C)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Al<6>,1|C<3>}	128.1563	0.087	3	128.1563	0.007	3	129.2376	2.196	5	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C[5](N[5]C[5]Co)(C[5]O[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	C[5](N[5]C[5]Co)(C[5]O[5]C)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Co<4>,1|C<3>}	130.8595	0.046	2	130.8595	0.002	2	129.2376	2.196	5	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Fe<4>,1|C<3>}	126.7760	0.341	2	125.7585	1.426	4	125.7746	2.452	10	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[5]Fe)(C[5]S[5]C)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Fe<5>,1|C<3>}	124.7410	0.146	2	125.7585	1.426	4	125.7746	2.452	10	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3){1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|Re<6>,1|H<1>}	124.3530	0.000	1	124.3530	0.000	1	125.7746	2.452	10	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[5]Re)(C[5]S[5]C)(CH3){1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Re<6>,1|H<1>}	124.2330	0.000	1	124.2330	0.000	1	125.7746	2.452	10	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	128.2290	0.000	1	126.5315	3.700	4	125.7746	2.452	10	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|Rh<8>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<8>,1|C<3>}	125.0370	0.000	1	126.5315	3.700	4	125.7746	2.452	10	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|Rh<9>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<9>,1|C<3>}	124.7030	0.000	1	126.5315	3.700	4	125.7746	2.452	10	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|S<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	128.1570	0.000	1	126.5315	3.700	4	125.7746	2.452	10	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[5](P[5]N[5]Cr)(C[5]N[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C[5](P[5]N[5]Cr)(C[5]N[5]C)(CH3){1|Si<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Cr<6>,1|Si<4>}	124.7095	0.913	2	124.7095	0.833	2	124.9963	0.751	4	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[5](P[5]N[5]Mo)(C[5]N[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]P[5]C)(N[5]N[5])(CCHH)	C[5](P[5]N[5]Mo)(C[5]N[5]C)(CH3){1|Si<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]P[5]C)(N[5]N[5])(CCHH){1|Mo<6>,1|Si<4>}	125.2830	1.044	2	125.2830	1.089	2	124.9963	0.751	4	126.9057	3.559	55	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:F-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]F)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F){1|H<1>,2|C<3>,2|C<4>}	124.1880	0.000	1	124.1880	0.000	1	124.1880	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)2(H)	C[5](C[5,6]C[5,6]B[6])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)2(H){1|B<4>,1|C<3>}	127.9125	0.402	2	127.9125	0.162	2	127.8252	0.064	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)2(H){1|B<4>,1|C<3>}	127.7380	0.028	2	127.7380	0.001	2	127.8252	0.064	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.4380	0.000	1	121.4380	0.000	1	121.4380	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3)	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	125.6930	0.391	5	125.6930	0.153	5	125.6930	0.153	5	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3)	C(C[5]C[5]2)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3){2|C<3>}	C(C[5]C[5]2)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	120.3720	0.106	2	120.3720	0.011	2	120.3720	0.011	2	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	119.9390	0.361	2	119.9390	0.130	2	119.9390	0.130	2	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	121.9120	0.000	1	121.9120	0.000	1	121.9120	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(Br)	C[5](C[5]C[5]Br)(C[5]O[5]C)(CH3){1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(Br){1|C<3>}	129.1320	0.000	1	129.1320	0.000	1	132.8416	2.900	7	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(Br)	C[5](C[5]C[5]Br)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(Br){1|O<1>}	133.4598	0.519	6	133.4598	0.270	6	132.8416	2.900	7	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[4a]C[5])(C[5]C[5]C)(H){4|C<3>}	126.8220	0.000	1	126.8220	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,2|H<1>}	122.1210	0.000	1	122.1210	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|C<5>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	122.9970	0.000	1	122.9970	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,4|C<3>}	121.9930	0.805	2	122.1287	0.379	3	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	122.4000	0.000	1	122.1287	0.379	3	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	128.4450	0.000	1	128.4450	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	129.1270	0.000	1	129.1270	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	128.1680	0.000	1	128.1680	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	130.6715	0.053	2	130.6715	0.003	2	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	130.7550	0.206	2	130.7550	0.043	2	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]H)(C[5]O[5]C)(CH3){1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<3>}	128.3080	0.000	1	128.3080	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(H){1|O<1>}	131.2086	1.061	11	131.2086	1.125	11	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>}	131.2910	0.910	4	131.2910	0.828	4	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]S[5]H)(H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]S[5]H)(H){1|C<3>,2|O<1>}	120.2250	0.000	1	120.2250	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<3>}	125.2480	0.000	1	125.2480	0.000	1	128.6825	14.005	31	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(O){3|H<1>}	121.9800	0.000	1	121.9800	0.000	1	121.9800	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	130.5130	0.000	1	130.5130	0.000	1	128.7795	1.777	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(H)	C[5](C[5]N[5]H)2(CH3){1|Ru<6>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(H){1|Ru<6>,1|H<1>}	128.2017	0.814	3	128.2017	0.662	3	128.7795	1.777	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]S)(O)	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3){1|C<3>,1|O<2>,1|S<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]S)(O){1|Br<1>,1|C<3>,1|O<2>}	121.8270	0.000	1	121.8270	0.000	1	120.9672	1.371	10	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	120.3020	0.000	1	121.1187	0.510	3	120.9672	1.371	10	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	121.5270	0.140	2	121.1187	0.510	3	120.9672	1.371	10	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<2>,2|H<1>}	120.6330	0.000	1	120.6330	0.000	1	120.9672	1.371	10	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|H<1>}	122.0615	0.373	2	122.0615	0.139	2	120.9672	1.371	10	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	118.3510	0.000	1	118.3510	0.000	1	120.9672	1.371	10	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	120.0310	0.000	1	120.0310	0.000	1	120.9672	1.371	10	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	121.3510	0.000	1	121.3510	0.000	1	120.9672	1.371	10	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){1|Fe<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	126.1430	1.262	4	126.1430	1.594	4	127.7811	0.701	55	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){1|Fe<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	127.9688	0.914	4	127.9688	0.835	4	127.7811	0.701	55	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){2|Pd<4>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Pd)(C[5]C[5]C)(H){1|Pd<4>,1|H<1>}	127.9040	0.646	42	127.9040	0.417	42	127.7811	0.701	55	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){1|Ru<6>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H){2|H<1>}	127.6783	0.837	3	127.9096	0.464	5	127.7811	0.701	55	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]N[5]H)2(CH3){2|Ru<6>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Ru)(C[5]C[5]C)(H){1|Ru<6>,1|H<1>}	128.2565	0.238	2	127.9096	0.464	5	127.7811	0.701	55	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]C[5,6]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](N[5]C[5,6]H)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	120.5850	0.000	1	120.5850	0.000	1	120.6513	1.018	7	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	120.2983	1.476	3	120.2983	2.178	3	120.6513	1.018	7	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	121.4235	0.054	2	121.4235	0.003	2	120.6513	1.018	7	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2320	0.000	1	120.2320	0.000	1	120.6513	1.018	7	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	125.7065	0.104	2	125.3863	0.174	4	125.3863	0.174	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,3|C<3>}	125.0660	0.317	2	125.3863	0.174	4	125.3863	0.174	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(CF3){1|Cu<4>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(Br){1|Cu<4>,1|B<4>}	129.3067	0.486	3	129.3067	0.236	3	129.7482	0.521	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CF3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(Br){1|Cu<4>,1|B<4>}	130.1897	0.694	3	130.1897	0.481	3	129.7482	0.521	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CF3){1|Zn<5>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|B<4>}	126.6610	0.544	3	126.6610	0.296	3	128.5360	4.630	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3){1|Cu<4>,1|C<3>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	130.6630	0.000	1	130.6630	0.000	1	128.5360	4.630	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	130.2850	1.171	2	130.2850	1.371	2	128.5360	4.630	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Fe<4>,1|C<4>}	130.6213	0.221	4	130.6130	0.037	5	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Fe<5>,1|C<4>}	130.5800	0.000	1	130.6130	0.037	5	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Cu<5>,1|H<1>}	128.1550	0.853	4	128.7362	1.537	6	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Cu)(CH3){1|Cu<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){2|Cu<5>}	129.8985	1.203	2	128.7362	1.537	6	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Fe<5>,1|H<1>}	130.7550	0.000	1	129.1673	0.704	7	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Fe<6>,1|H<1>}	127.9720	0.000	1	129.1673	0.704	7	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Fe<4>,1|C<4>}	129.1625	0.210	4	129.1673	0.704	7	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Fe<5>,1|C<4>}	128.7940	0.000	1	129.1673	0.704	7	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Cu<5>,1|H<1>}	131.6667	0.766	4	131.9922	0.606	6	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Fe<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Fe<5>,1|H<1>}	132.6440	0.000	1	131.9922	0.606	6	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Fe<6>,1|H<1>}	132.6420	0.000	1	131.9922	0.606	6	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Pd)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Pd<4>,1|C<3>}	130.4690	0.000	1	130.4690	0.000	1	130.0830	2.303	25	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|B<4>,1|W<7>}	128.7650	0.000	1	129.1448	0.241	9	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|Ni<6>,1|B<4>}	129.4073	0.312	6	129.1448	0.241	9	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|Rh<4>,1|B<4>}	128.5470	0.406	2	129.1448	0.241	9	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|Fe<5>,1|C<4>}	129.8850	0.000	1	129.8850	0.000	1	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|Fe<6>,1|H<1>}	127.7690	0.000	1	128.4035	0.805	2	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]Fe)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|Fe<5>,1|C<4>}	129.0380	0.000	1	128.4035	0.805	2	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|Fe<6>,1|H<1>}	131.6070	0.000	1	131.6070	0.000	1	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]Ni)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]Ni)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|Ni<6>,1|B<4>}	127.4778	0.360	6	127.4778	0.130	6	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]Rh)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]Rh)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|Rh<4>,1|B<4>}	128.9605	0.029	2	128.9605	0.001	2	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Cl){1|B<4>,1|W<7>}	125.7180	0.000	1	125.7180	0.000	1	128.5958	1.569	22	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<4>}	125.9210	0.000	1	125.9210	0.000	1	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]W)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|W<6>}	128.3545	0.388	2	128.3545	0.151	2	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|B<4>,2|C<3>}	129.1197	0.837	23	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<3>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<3>,1|B<4>,2|C<3>}	128.4300	0.000	1	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<4>,1|B<4>,2|C<3>}	128.9293	0.721	3	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|B<3>,2|C<3>}	129.0517	0.446	3	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|B<4>,2|C<3>}	129.0991	0.430	8	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|B<4>,2|C<3>}	129.0780	0.305	3	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<3>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<3>,1|B<4>,2|C<3>}	128.6280	0.000	1	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<4>,1|B<4>,2|C<3>}	129.5662	0.550	6	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|B<4>,2|C<3>}	128.2267	0.552	3	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<3>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<3>,1|B<4>,2|C<3>}	128.3970	0.000	1	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<4>,1|B<4>,2|C<3>}	129.1869	0.647	31	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|B<4>,2|C<3>}	129.5982	0.534	32	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<6>,1|B<4>,2|C<3>}	129.1503	0.048	3	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Rh<4>,1|B<4>,2|C<3>}	128.2735	1.770	2	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<3>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<3>,1|B<4>,2|C<3>}	128.2030	0.000	1	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|B<4>,2|C<3>}	129.2172	0.664	42	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|B<4>,2|C<3>}	129.2691	0.800	77	129.2343	0.524	240	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<1>,1|W<7>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<7>}	130.0490	0.000	1	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	128.4397	1.029	7	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|U<8>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|U<8>}	128.5852	1.718	5	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<6>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<6>}	129.4713	0.925	394	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<3>,1|W<7>}	129.3908	0.453	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<7>}	129.4061	0.697	91	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<8>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<8>}	129.9010	0.852	4	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	128.7827	0.317	7	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|B<4>}	129.4042	0.255	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|B<4>}	129.3249	0.916	7	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<4>,1|B<4>}	128.7145	0.655	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	129.2109	0.443	9	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	129.3617	0.393	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cu<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|B<4>}	129.5445	0.247	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cu<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|B<4>}	129.4161	0.727	12	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Eu<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Eu<6>,1|B<4>}	128.5000	0.000	1	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|B<4>}	129.0117	0.304	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|B<4>}	129.6316	0.819	66	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|B<4>}	129.6269	0.716	151	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<7>,1|B<4>}	129.5878	1.175	9	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<8>,1|B<4>}	129.5590	0.581	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Li<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<4>,1|B<4>}	129.7320	0.663	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mg<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|B<4>}	128.9816	0.423	16	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|B<4>}	129.5788	0.747	9	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|B<3>}	129.2123	0.120	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|B<4>}	129.3462	0.815	142	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|B<4>}	129.1624	0.604	19	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|B<5>}	129.2367	0.469	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<8>,1|B<4>}	129.1400	0.342	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|B<4>}	128.9543	0.636	10	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	129.3581	0.885	15	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|B<4>}	129.3305	0.085	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|B<4>}	129.4647	1.283	18	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<7>,1|B<4>}	129.1092	0.310	5	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|B<4>}	128.7852	0.960	8	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<5>,1|B<4>}	128.9335	0.156	2	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<6>,1|B<4>}	129.0303	0.592	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|B<4>}	129.0789	1.056	19	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pt<5>,1|B<4>}	129.9695	0.161	2	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pt<6>,1|B<4>}	129.3332	0.544	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<6>,1|B<4>}	129.0090	0.473	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|B<4>}	129.2528	0.591	12	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<5>,1|B<4>}	129.2527	0.447	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|B<4>}	129.4617	0.698	136	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<6>,1|B<4>}	129.2230	0.000	1	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Sm<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<7>,1|B<4>}	128.0673	1.303	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ta<6>,1|B<4>}	129.2048	0.933	9	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ta<7>,1|B<4>}	129.5475	0.648	6	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ta<8>,1|B<4>}	129.3827	0.384	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ti<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ti<6>,1|B<4>}	129.2437	0.656	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Y<12>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Y<12>,1|B<4>}	129.0347	0.323	3	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	128.9456	0.574	21	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zr<11>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zr<11>,1|B<4>}	128.3585	1.275	2	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|C<4>}	127.3460	0.000	1	129.4021	0.689	1307	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<7>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){1|Cd<7>,1|C<3>,1|C<4>,1|N<3>}	131.1255	0.064	2	130.7230	0.488	3	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){1|Fe<10>,1|Ni<4>,3|C<4>}	129.9180	0.000	1	130.7230	0.488	3	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	131.5350	0.177	2	131.5350	0.031	2	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	128.9753	1.240	3	128.9753	1.537	3	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	131.7650	1.097	11	131.5744	1.132	14	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ru<6>,1|C<4>}	130.8753	0.640	3	131.5744	1.132	14	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<3>}	130.3330	0.584	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<4>}	130.2180	0.245	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|C<4>}	130.4640	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<4>,1|H<1>}	130.4635	1.759	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|V<6>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<4>,1|V<6>}	131.5700	0.981	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<6>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<6>}	130.7243	1.088	4	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<7>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<7>}	131.5110	0.583	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ca<6>,1|C<3>}	130.7610	0.254	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<3>}	127.9550	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<4>}	130.8178	0.408	9	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<4>}	130.2696	0.372	8	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<4>,1|C<4>}	130.9304	0.748	14	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	130.9349	1.119	27	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<3>}	127.3600	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<4>}	131.0672	0.604	13	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<4>}	131.2590	0.689	18	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<3>,1|C<4>}	130.5165	1.133	10	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<3>}	127.5900	0.173	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	131.0468	0.927	46	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	130.6130	0.085	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	130.7081	0.673	27	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<4>}	131.2305	0.153	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Er<12>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Er<12>,1|C<4>}	130.6923	0.190	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|C<4>}	131.1515	0.860	4	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|C<4>}	131.5347	0.037	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<4>}	130.9611	0.781	64	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	130.5780	0.501	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<4>,1|C<4>}	130.4005	0.640	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<3>}	129.9067	0.422	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<4>}	131.0094	1.132	19	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<8>,1|C<4>}	132.1303	1.197	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<3>,1|C<3>}	131.7990	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<4>,1|C<4>}	130.9680	0.641	8	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<8>,1|C<4>}	130.2480	0.593	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	130.3638	0.646	10	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<5>,1|C<4>}	131.2515	0.029	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<6>,1|C<3>}	130.5335	1.203	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<6>,1|C<4>}	131.1442	0.265	4	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<8>,1|C<4>}	130.6727	0.841	6	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	128.7450	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<4>}	130.5932	1.960	20	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|C<4>}	130.9419	1.137	41	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|C<4>}	131.6775	0.681	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	130.1817	0.459	10	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|C<4>}	130.6320	0.229	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	128.5967	1.501	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	131.0040	0.676	33	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	129.9817	1.300	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	130.9163	0.895	85	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<6>,1|C<4>}	130.6660	0.939	12	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<8>,1|C<4>}	130.6380	1.037	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|C<4>}	130.9500	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|C<4>}	131.1322	0.785	12	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<7>,1|C<4>}	132.0715	0.491	4	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	128.7470	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<4>}	130.6566	1.612	32	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<7>,1|C<4>}	130.1810	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<4>}	130.9298	0.810	13	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sc<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sc<6>,1|C<4>}	131.0960	0.000	1	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<6>,1|C<4>}	130.7843	0.260	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<7>,1|C<4>}	131.3063	0.386	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ti<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ti<6>,1|C<4>}	131.3818	0.425	9	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Y<12>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Y<12>,1|C<4>}	129.5180	1.063	4	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	129.3000	2.196	14	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	130.5897	0.823	55	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<4>}	130.4990	0.407	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|C<3>}	130.6383	0.516	3	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zr<10>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zr<10>,1|C<4>}	129.8815	0.713	4	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){2|C<4>}	130.4670	0.526	2	130.7842	1.121	717	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(C[5]N[5]C)(H){1|C<3>,1|C<4>}	130.1105	0.347	4	130.1105	0.120	4	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	130.7990	0.000	1	130.7990	0.000	1	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ag<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ag<5>,1|C<3>,1|H<1>,1|N<3>}	132.3645	0.308	2	131.6108	0.363	10	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Eu<13>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<3>}	131.4200	0.421	2	131.6108	0.363	10	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	131.3492	0.708	4	131.6108	0.363	10	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Sm<13>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Sm<13>,1|C<3>,1|H<1>,1|N<3>}	131.5710	0.030	2	131.6108	0.363	10	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	131.6780	0.000	1	131.2344	1.462	5	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	131.1235	1.366	4	131.2344	1.462	5	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|H<1>}	132.8225	0.317	2	132.2969	1.217	16	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<7>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mo<7>,1|H<1>}	131.2060	0.979	2	132.2969	1.217	16	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|H<1>}	132.6200	1.310	2	132.2969	1.217	16	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Os<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Os<6>,1|H<1>}	132.2150	0.000	1	132.2969	1.217	16	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|H<1>}	132.3599	1.240	9	132.2969	1.217	16	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|H<1>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]N)(H){2|H<1>}	131.1410	0.541	5	131.1410	0.292	5	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	132.0699	0.654	7	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){2|H<1>}	131.6753	1.518	26	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|W<6>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|H<1>,1|W<6>}	132.2920	0.014	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cd<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|H<1>}	131.9110	0.000	1	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<4>,1|H<1>}	132.1304	0.622	8	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	129.6650	0.000	1	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	132.0273	0.311	3	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|H<1>}	132.2777	0.686	4	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|H<1>}	131.1660	0.000	1	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|H<1>}	131.9818	1.096	8	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|H<1>}	132.5415	0.118	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|H<1>}	131.3520	0.164	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ir<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|H<1>}	132.7067	2.104	3	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Li<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<4>,1|H<1>}	131.8320	0.000	1	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	131.7767	0.730	12	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	132.2180	1.560	3	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|H<1>}	132.5665	0.804	4	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|H<1>}	132.3540	0.000	1	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	132.2025	0.073	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	132.1238	0.644	5	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Os<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Os<6>,1|H<1>}	131.5930	0.263	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	132.4984	0.742	10	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Pt<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|H<1>}	131.7000	0.140	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Re<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<5>,1|H<1>}	131.7180	0.795	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<6>,1|H<1>}	132.5612	1.221	9	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Rh<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|H<1>}	131.2100	0.000	1	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<5>,1|H<1>}	133.0960	0.000	1	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|H<1>}	130.2517	0.235	4	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<9>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|H<1>}	131.7415	0.571	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|H<1>}	132.4002	0.490	20	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<4>,1|H<1>}	129.5590	0.624	2	131.9920	1.129	151	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3){1|Cu<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|P<3>}	131.2357	0.193	3	131.4707	0.388	6	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3){1|Pd<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<5>,1|P<3>}	131.7057	0.876	3	131.4707	0.388	6	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|B<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|U<18>,1|B<5>}	127.7915	0.503	2	127.7915	0.253	2	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|U<8>}	127.0474	3.036	5	129.5017	4.546	20	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]U)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|U<9>}	130.3198	0.817	15	129.5017	4.546	20	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<3>,1|V<5>}	129.6705	0.238	2	128.5208	0.946	6	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<3>,1|V<7>}	127.7180	0.646	2	128.5208	0.946	6	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]V)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<4>,1|V<6>}	128.1740	0.288	2	128.5208	0.946	6	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<3>,1|W<7>}	127.6655	1.225	6	127.5633	1.627	510	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<6>}	127.6776	1.328	395	127.5633	1.627	510	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<7>}	127.0405	0.974	92	127.5633	1.627	510	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<8>}	127.5516	0.462	5	127.5633	1.627	510	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|H<1>,1|W<6>}	127.4970	0.656	2	127.5633	1.627	510	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){1|C<4>,1|W<5>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){2|W<5>}	127.3718	1.198	4	127.5633	1.627	510	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<6>}	127.8815	0.601	4	127.5633	1.627	510	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]W)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<7>}	128.5720	0.376	2	127.5633	1.627	510	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Y<18>,1|B<5>}	127.0595	0.384	2	127.0595	0.147	2	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Y<12>,1|B<4>}	126.3440	0.820	3	127.7589	1.325	19	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){1|B<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Y<18>,1|B<5>}	127.2213	0.399	6	127.7589	1.325	19	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Y<12>,1|C<4>}	127.7760	1.135	4	127.7589	1.325	19	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]Y)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Y<15>,1|C<4>}	128.9927	0.440	6	127.7589	1.325	19	129.5650	2.442	3046	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(I)	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(I){1|Fe<5>,1|C<4>}	129.9680	0.000	1	129.9680	0.000	1	129.9680	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]B)(H){2|H<1>}	130.2040	0.000	1	130.2040	0.000	1	131.8273	1.163	33	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	131.8700	0.000	1	131.8700	0.000	1	131.8273	1.163	33	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	131.3580	0.000	1	131.8783	1.150	31	131.8273	1.163	33	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	131.8956	1.086	30	131.8783	1.150	31	131.8273	1.163	33	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.5890	0.694	3	129.5890	0.481	3	129.5890	0.481	3	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Cu<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H){2|H<1>}	132.4850	0.000	1	132.1207	0.303	3	132.3826	0.349	9	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Cu<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	131.9385	0.637	2	132.1207	0.303	3	132.3826	0.349	9	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Fe<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]N[5]C)(H){2|H<1>}	132.6120	0.000	1	132.6120	0.000	1	132.3826	0.349	9	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(H){2|H<1>}	132.3992	0.750	4	132.3992	0.562	4	132.3826	0.349	9	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ru)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Ru<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ru)(C[5]N[5]C)(H){2|H<1>}	132.8720	0.000	1	132.8720	0.000	1	132.3826	0.349	9	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	Ge[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]Ge[5]C[5])(H)3	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H)	C[5](Ge[5]Ge[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|N<3>}	C(C[5]Ge[5]C[5])(H)3	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H){1|Ge<3>,1|C<3>}	119.2020	0.000	1	119.2020	0.000	1	119.2020	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[4,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3)	C(C[5]N[4,5]C[5])(H)3	C[5](C[5]N[4,5]C)2(H)	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3){1|Cl<1>,1|Si<5>,1|C<4>,2|N<3>}	C(C[5]N[4,5]C[5])(H)3	C[5](C[5]N[4,5]C)2(H){2|Si<5>}	130.4820	0.221	4	129.8578	0.476	8	129.8578	0.476	8	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[4,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3)	C(C[5]N[4,5]C[5])(H)3	C[5](C[5]N[4,5]C)2(H)	C[5](N[4,5]Si[4,4]N[4,5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,3|N<3>}	C(C[5]N[4,5]C[5])(H)3	C[5](C[5]N[4,5]C)2(H){2|Si<5>}	129.2335	0.154	4	129.8578	0.476	8	129.8578	0.476	8	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3)	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	130.0390	0.788	2	130.0390	0.620	2	130.0340	0.923	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|B<4>,1|N<3>,2|C<4>}	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	130.4630	0.976	2	130.5327	0.491	3	130.0340	0.923	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,1|N<3>,1|O<1>}	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)2(H){1|Si<5>,1|C<3>}	130.6720	0.000	1	130.5327	0.491	3	130.0340	0.923	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3)	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]N[5,5]C)2(H){1|Si<5>,1|C<3>}	128.5280	0.000	1	128.5280	0.000	1	130.0340	0.923	6	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,5a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3)	C(C[5]N[5,5a]C[5])(H)3	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	C(C[5]N[5,5a]C[5])(H)3	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	131.0490	0.148	2	131.0490	0.022	2	130.7175	0.161	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,5a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3)	C(C[5]N[5,5a]C[5])(H)3	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|F<1>}	C(C[5]N[5,5a]C[5])(H)3	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	130.3860	0.141	2	130.3860	0.020	2	130.7175	0.161	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){2|B<3>}	130.2403	0.817	4	129.5169	0.405	38	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Ge<6>,1|C<4>,1|H<1>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Ge<6>,1|B<4>}	129.5510	0.196	3	129.5169	0.405	38	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|In<6>,1|C<4>,1|H<1>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|In<6>,1|B<4>}	129.1150	0.254	3	129.5169	0.405	38	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	129.4057	0.929	9	129.5169	0.405	38	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	129.4319	0.451	13	129.5169	0.405	38	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<8>,1|C<4>,1|H<1>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	129.5693	0.357	6	129.5169	0.405	38	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|C<4>}	130.7040	0.035	2	130.7040	0.001	2	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,3|N<2>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Ge<6>,1|B<4>}	126.9577	0.338	3	126.9577	0.114	3	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|C<4>,2|N<3>,2|O<2>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|In<6>,1|B<4>}	128.5887	0.810	3	128.5887	0.657	3	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|N<2>,2|C<4>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	127.3563	0.383	6	127.3563	0.147	6	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	128.2347	0.548	3	128.2347	0.301	3	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,1|C<4>,2|N<3>,4|C<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	126.9437	0.537	3	126.9627	0.318	6	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,3|C<4>,3|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	126.9817	0.711	3	126.9627	0.318	6	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	127.0980	0.638	3	126.9604	0.419	17	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,4|C<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	127.2050	0.809	3	126.9604	0.419	17	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,2|N<3>,3|C<4>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	126.1820	0.427	3	126.9604	0.419	17	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	127.1313	0.564	6	126.9604	0.419	17	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]N[5,6,6]C[5])(H)3	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|C<4>}	127.0415	0.617	2	126.9604	0.419	17	128.4440	1.878	78	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6a]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3)	C(C[5]N[5,6,6a]C[5])(F)3	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]N[5,6,6a]C[5])(F)3	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	128.7050	1.199	2	128.7050	1.438	2	128.7050	1.438	2	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3)	C(C[5]N[5,6,6a]C[5])(H)3	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]N[5,6,6a]C[5])(H)3	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	129.2920	0.000	1	129.2920	0.000	1	129.2920	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|B<4>,1|C<3>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|B<4>,2|C<3>}	128.6130	0.000	1	128.6130	0.000	1	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<4>,1|C<3>}	127.4720	0.000	1	127.4720	0.000	1	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|Cu<3>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){2|Cu<3>}	126.7033	0.280	3	127.4158	0.354	11	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CF3){1|Cu<4>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){2|Cu<4>}	127.6830	0.430	8	127.4158	0.354	11	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){2|Li<3>}	128.2990	0.000	1	128.5685	1.094	4	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Li<3>,1|Rh<4>}	129.3845	0.144	2	128.5685	1.094	4	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CF3){1|Ru<8>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Li<3>,1|Ru<8>}	127.2060	0.000	1	128.5685	1.094	4	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CF3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	127.3003	0.892	3	127.3003	0.796	3	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Os)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(CF3){1|Os<5>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){2|Os<5>}	128.2330	0.857	3	128.2330	0.735	3	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CF3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	127.1660	0.441	2	127.1660	0.195	2	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Li<3>,1|Rh<4>}	127.4475	0.387	2	126.9066	2.322	16	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){2|Rh<4>}	126.7345	1.927	10	126.9066	2.322	16	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CF3){1|Rh<6>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){2|Rh<6>}	127.0662	0.304	4	126.9066	2.322	16	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CF3){1|Li<3>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Li<3>,1|Ru<8>}	124.1720	0.000	1	124.1720	0.000	1	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CF3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|B<4>}	127.4100	1.087	3	127.4100	1.181	3	127.3283	1.603	45	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]Br)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br)	C[5](N[5]C[6a]N[5])(C[5]C[5]Br)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(Br){1|Pd<4>,1|C<3>}	132.2530	0.000	1	132.2530	0.000	1	132.2530	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|Ni<5>,1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	126.6200	0.000	1	126.6200	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<4>,1|N<3>,1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	129.8440	0.000	1	130.3035	0.422	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ru<6>,1|C<4>,1|N<3>,1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	130.7630	0.000	1	130.3035	0.422	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Ti<9>,1|H<1>}	127.0730	0.000	1	127.0730	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Al<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Al<5>,1|C<3>}	128.1330	0.000	1	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|V<7>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<3>,1|V<7>}	130.7720	0.095	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cd<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<3>}	127.8277	0.121	3	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<3>}	128.2405	0.651	4	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	128.2028	0.740	5	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<5>,1|C<4>,1|N<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	130.1660	0.695	3	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<6>,1|C<4>,1|N<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<3>}	129.6540	0.170	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cr<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<3>}	128.3680	0.168	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>,1|N<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<3>}	129.3620	0.021	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,1|N<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<3>}	129.7190	0.775	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<3>}	128.2262	0.507	4	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<6>,1|C<4>,1|N<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<3>}	129.5210	0.173	4	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<3>}	129.4050	0.065	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Fe<6>,1|C<4>,1|N<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<3>}	130.5937	0.179	3	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	128.5165	0.508	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	128.4826	0.914	12	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<4>,1|N<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	130.5598	0.663	4	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	129.7445	0.903	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<5>,1|C<3>}	127.2260	0.000	1	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	127.9640	0.582	7	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<7>,1|C<3>,1|C<4>,1|N<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<7>,1|C<3>}	128.7010	0.000	1	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Sm<14>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<14>,1|C<3>}	126.3170	0.000	1	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	128.5323	0.958	3	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<3>}	129.3980	1.228	2	128.8697	1.237	74	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CH3){1|Ge<3>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H){1|Ge<3>,1|C<3>}	122.4470	0.000	1	122.4470	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Pd<4>,1|C<3>}	128.5840	0.361	6	128.5840	0.130	6	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|V<5>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<3>,1|V<5>}	130.7450	0.052	2	129.6945	3.648	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<3>}	128.0547	0.688	12	129.6945	3.648	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Mn<6>,1|N<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	130.8888	2.035	6	129.6945	3.648	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	132.2180	0.054	2	129.6945	3.648	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	130.3685	0.722	2	129.6945	3.648	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|C<3>}	131.7025	0.081	2	129.6945	3.648	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Nb[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]Nb[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Nb[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]Nb[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,2|N<2>}	116.3640	0.000	1	116.3640	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){1|N<3>,1|N<4>,2|C<4>,2|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	127.6300	0.000	1	126.1885	4.156	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){2|C<4>,2|N<4>,2|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	124.7470	0.000	1	126.1885	4.156	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<3>}	128.8317	0.093	3	128.9874	0.043	7	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Al<5>,1|C<3>}	128.9750	0.000	1	128.9874	0.043	7	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<4>}	129.1473	0.213	3	128.9874	0.043	7	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ca)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ca)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ca<6>,1|C<3>}	129.2337	0.636	3	129.2337	0.404	3	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<3>}	129.6565	1.155	4	128.9453	0.677	25	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<3>}	129.3623	0.744	4	128.9453	0.677	25	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<4>}	128.7523	0.835	9	128.9453	0.677	25	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<4>}	128.5983	0.377	8	128.9453	0.677	25	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|B<4>,2|C<3>}	126.4430	0.000	1	126.0697	0.125	3	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|H<1>,2|C<3>}	125.8830	0.204	2	126.0697	0.125	3	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	129.5125	0.348	4	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|B<4>}	128.5855	0.748	6	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|B<4>}	128.0939	0.849	7	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	128.5645	1.512	8	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<3>}	128.4347	0.347	3	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<4>,1|H<1>}	129.3803	0.884	7	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	127.7300	0.647	3	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|P<4>}	128.8195	0.869	2	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<4>,1|C<4>}	128.8459	0.611	14	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	128.6848	1.283	26	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<4>}	127.8882	0.867	13	128.5884	1.136	93	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	126.8513	0.449	3	127.3530	1.774	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<3>}	128.0790	0.419	2	127.3530	1.774	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	128.2930	0.000	1	127.3530	1.774	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<8>}	131.0000	0.178	2	127.3530	1.774	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<4>}	126.8986	0.795	18	127.3530	1.774	26	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	127.7600	0.000	1	127.7600	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|C<3>}	127.6470	0.580	2	127.6470	0.336	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|B<4>}	129.6945	0.938	12	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<3>}	128.6712	1.506	4	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<3>}	128.5750	1.151	2	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<3>}	128.4723	0.426	8	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|H<1>}	129.4023	1.474	3	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|H<1>}	128.4969	1.155	9	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|P<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|P<3>}	128.2977	0.413	3	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<3>,1|C<4>}	128.7386	0.682	10	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	128.9960	0.800	45	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	128.0731	0.745	25	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<4>}	127.6470	0.192	2	128.7386	0.907	123	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Dy)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Dy)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Dy<18>,1|B<5>}	127.0470	0.643	2	127.0470	0.414	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Er<18>,1|B<5>}	126.9200	0.817	2	126.9200	0.668	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Er)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Er<12>,1|C<4>}	127.0160	0.648	3	127.0160	0.420	3	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Eu)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Eu)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Eu<6>,1|B<4>}	129.0850	0.000	1	129.0850	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|B<4>}	126.8561	0.901	36	126.9646	1.238	42	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<3>}	127.6158	1.968	6	126.9646	1.238	42	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|B<4>}	129.6213	1.332	3	127.4284	0.900	145	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|B<4>}	127.1991	0.900	66	127.4284	0.900	145	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<3>}	127.6214	0.393	5	127.4284	0.900	145	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|H<1>}	129.7540	0.116	2	127.4284	0.900	145	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|C<4>}	128.9830	0.241	4	127.4284	0.900	145	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|C<4>}	127.9670	0.513	3	127.4284	0.900	145	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<4>}	127.3495	0.727	62	127.4284	0.900	145	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ga<3>,1|Ga<4>}	130.2070	0.000	1	130.6780	0.444	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ga<3>,1|Ga<4>}	131.1490	0.000	1	130.6780	0.444	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ho)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ho)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ho<18>,1|B<5>}	126.8260	0.717	2	126.8260	0.514	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|H<1>,2|C<3>}	125.1283	2.789	3	125.1283	7.781	3	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|B<4>}	127.2213	1.161	152	127.3203	1.661	206	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<7>,1|B<4>}	126.4793	2.611	9	127.3203	1.661	206	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<8>,1|B<4>}	125.5547	1.854	3	127.3203	1.661	206	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<3>}	127.9503	0.724	15	127.3203	1.661	206	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|H<1>}	128.5690	0.090	3	127.3203	1.661	206	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<4>,1|C<4>}	128.6690	0.827	2	127.3203	1.661	206	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<4>}	127.9976	1.183	19	127.3203	1.661	206	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ir<8>,1|C<4>}	127.0420	0.964	3	127.3203	1.661	206	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<4>,1|B<4>}	128.9643	0.466	3	129.3057	0.375	15	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<3>,1|C<3>}	129.0010	0.000	1	129.3057	0.375	15	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<4>,1|H<1>}	128.2080	0.000	1	129.3057	0.375	15	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<4>,1|C<4>}	129.6104	0.585	8	129.3057	0.375	15	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Li<8>,1|C<4>}	129.3000	0.188	2	129.3057	0.375	15	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<6>,1|C<3>}	128.1685	0.022	2	128.5884	1.121	24	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	129.0196	0.376	10	128.5884	1.121	24	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<5>,1|C<4>}	129.1570	0.164	2	128.5884	1.121	24	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<6>,1|C<4>}	126.6633	1.060	4	128.5884	1.121	24	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mg<8>,1|C<4>}	129.1035	0.604	6	128.5884	1.121	24	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	129.5090	0.000	1	128.4082	2.045	9	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|Mn<6>,2|C<3>}	129.1090	0.000	1	128.4082	2.045	9	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|Mn<5>,2|C<3>}	127.2852	1.206	4	128.4082	2.045	9	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|Mn<6>,2|C<3>}	130.0940	0.000	1	128.4082	2.045	9	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|Mn<6>,2|C<3>}	128.9105	1.380	2	128.4082	2.045	9	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|B<4>}	127.1334	0.659	9	127.6167	1.317	35	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	128.6533	0.931	3	127.6167	1.317	35	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	127.8130	1.166	3	127.6167	1.317	35	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<4>}	127.6493	1.285	20	127.6167	1.317	35	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|B<3>}	128.1927	0.341	6	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|B<4>}	127.8121	1.062	146	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|B<4>}	127.2833	1.079	21	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<8>,1|B<4>}	125.6117	1.038	3	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|B<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|B<5>}	127.1157	0.165	3	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|H<1>}	127.9555	0.963	4	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|H<1>}	128.6410	0.000	1	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|C<4>}	128.2575	0.823	41	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|C<4>}	128.6245	0.428	2	127.8288	1.117	227	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|H<1>,2|C<3>}	127.4490	0.000	1	127.4490	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<4>,1|B<4>}	126.7480	0.554	2	127.5940	1.458	5	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	128.1580	1.253	3	127.5940	1.458	5	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|B<4>}	128.9124	0.979	10	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	128.6672	0.943	12	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|B<4>}	129.0284	1.511	18	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<7>,1|B<4>}	128.5136	0.795	5	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	128.2546	1.137	20	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	127.3755	0.231	2	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){2|Ni<4>}	129.4159	0.976	9	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	127.7991	0.610	10	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|C<4>}	128.6580	1.022	3	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	127.7297	1.092	33	128.3758	1.459	122	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Os)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Os<6>,1|H<1>}	127.7460	0.001	2	127.7460	0.000	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3){1|Co<5>,1|C<4>,1|N<2>,2|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Co<5>,1|P<4>}	131.0845	0.303	2	130.1433	2.703	3	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,1|N<3>,2|N<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|P<4>}	128.2610	0.000	1	130.1433	2.703	3	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(H){1|Pd<4>,1|C<3>}	127.5840	0.000	1	127.5840	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|B<4>}	128.4166	0.651	8	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<5>,1|B<4>}	128.6160	0.737	2	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<6>,1|B<4>}	127.0878	0.824	6	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	128.0279	1.214	7	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	129.7514	0.602	10	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|P<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<5>,1|P<3>}	128.7267	1.193	3	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|P<4>}	127.3950	0.000	1	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){2|Pd<4>}	128.0747	1.044	4	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	128.4842	1.280	85	128.4749	1.553	126	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|B<4>}	128.7696	0.892	19	128.7463	1.019	31	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pt<5>,1|B<4>}	128.6180	0.174	2	128.7463	1.019	31	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pt<6>,1|B<4>}	127.9513	1.013	6	128.7463	1.019	31	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|H<1>}	129.2980	0.700	2	128.7463	1.019	31	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pt)(C[5]C[5]H)(CH3){1|Pt<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){2|Pt<4>}	130.4865	0.319	2	128.7463	1.019	31	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Re<6>,1|C<3>}	126.9050	0.000	1	126.9050	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<6>,1|B<4>}	126.5407	0.821	3	127.6107	3.264	29	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<5>,1|H<1>}	124.7625	1.573	2	127.6107	3.264	29	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<6>,1|H<1>}	128.8616	1.659	10	127.6107	3.264	29	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<6>,1|C<4>}	126.9872	1.178	12	127.6107	3.264	29	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Re<8>,1|C<4>}	129.5505	0.136	2	127.6107	3.264	29	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|B<4>}	128.4761	0.877	12	126.9177	2.369	177	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<5>,1|B<4>}	127.1468	0.771	6	126.9177	2.369	177	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|B<4>}	126.6446	1.537	138	126.9177	2.369	177	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|H<1>}	125.7930	0.000	1	126.9177	2.369	177	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){1|Rh<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){2|Rh<6>}	129.1900	0.000	1	126.9177	2.369	177	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|C<4>}	129.3690	0.000	1	126.9177	2.369	177	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|C<4>}	127.7243	1.172	14	126.9177	2.369	177	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<7>,1|C<4>}	127.5958	0.568	4	126.9177	2.369	177	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<5>,1|C<3>}	129.7750	0.000	1	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	128.8844	0.746	9	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<7>,1|C<3>}	128.9980	0.000	1	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<5>,1|H<1>}	127.1460	0.000	1	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|H<1>}	125.6000	0.427	4	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|H<1>}	125.7425	1.050	2	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<4>}	127.5772	1.087	32	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<7>,1|C<4>}	125.0920	0.000	1	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<4>}	126.4071	0.487	13	127.3534	1.764	64	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sc)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sc)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sc<6>,1|C<4>}	128.3670	0.000	1	128.3670	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<6>,1|B<4>}	129.6700	0.000	1	127.6921	2.755	14	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<7>,1|B<4>}	126.6278	1.739	6	127.6921	2.755	14	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<14>,1|C<3>}	126.6890	0.000	1	127.6921	2.755	14	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<6>,1|C<4>}	129.4033	0.235	3	127.6921	2.755	14	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Sm<7>,1|C<4>}	127.7843	0.164	3	127.6921	2.755	14	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ta<6>,1|B<4>}	125.4611	1.677	9	126.1250	2.169	18	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ta<7>,1|B<4>}	126.9152	0.902	6	126.1250	2.169	18	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ta)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ta<8>,1|B<4>}	126.5363	1.021	3	126.1250	2.169	18	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Tb)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Tb)(C[5]C[5]H)(CH3){1|B<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Tb<18>,1|B<5>}	126.9665	0.549	2	126.9665	0.302	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ti<6>,1|B<4>}	126.5197	0.464	3	128.0059	2.253	16	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ti<9>}	130.2132	0.267	4	128.0059	2.253	16	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Ti<6>,1|C<4>}	127.5203	0.783	9	128.0059	2.253	16	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	128.7240	0.731	4	129.3565	0.781	121	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	129.1175	1.062	19	129.3565	0.781	121	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<3>}	129.2900	1.949	2	129.3565	0.781	121	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|C<3>}	128.6967	0.315	3	129.3565	0.781	121	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|H<1>}	129.8635	0.953	20	129.3565	0.781	121	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){2|Zn<4>}	129.8310	0.469	16	129.3565	0.781	121	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	129.2155	0.780	55	129.3565	0.781	121	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<4>}	128.9580	0.553	2	129.3565	0.781	121	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zr<11>,1|B<4>}	126.2400	0.010	2	125.8447	0.188	6	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zr)(C[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Zr<10>,1|C<4>}	125.6470	0.397	4	125.8447	0.188	6	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]Nb[3,3,5]C[6a])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]Nb[3,3,5]C)(C[5]N[5]C)(H)	C[5](N[5]Nb[3,3,5]C[6a])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,2|C<3>,2|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]Nb[3,3,5]C)(C[5]N[5]C)(H){1|Nb<6>,1|C<3>,1|N<2>,2|O<2>}	118.1300	0.000	1	118.1300	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]Nb[3,5,5]C[6a])(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]Nb[3,5,5]C)(C[5]N[5]C)(H)	C[5](N[5]Nb[3,5,5]C[6a])(C[5]C[5]H)(CH3){1|C<4>,1|C<5>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]Nb[3,5,5]C)(C[5]N[5]C)(H){1|C<3>,1|C<5>,1|N<2>,1|N<3>,1|O<2>}	117.8125	0.286	2	117.8125	0.082	2	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]O[5]Pd)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]C)(H)	C[5](N[5]O[5]Pd)(C[5]C[5]H)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]O[5]C)(H){1|Pd<4>}	129.3480	0.000	1	129.3480	0.000	1	127.9601	2.303	1859	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:I-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]I)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(I)	C[5](N[5]C[6a]N[5])(C[5]C[5]I)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(I){1|Pd<4>,1|C<3>}	131.0110	0.000	1	131.0110	0.000	1	129.4353	1.906	3	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:I-1:	C[5](N[5]N[5]Fe)(C[5]C[5]I)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(I)	C[5](N[5]N[5]Fe)(C[5]C[5]I)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(I){1|Fe<5>,1|C<4>}	128.8570	0.000	1	128.8570	0.000	1	129.4353	1.906	3	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:I-1:	C[5](N[5]N[5]Pd)(C[5]C[5]I)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(I)	C[5](N[5]N[5]Pd)(C[5]C[5]I)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(I){1|Pd<4>,1|C<3>}	128.4380	0.000	1	128.4380	0.000	1	129.4353	1.906	3	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	129.7430	2.341	3	129.7430	5.481	3	130.3785	5.269	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<6>,1|C<3>}	132.2850	0.000	1	132.2850	0.000	1	130.3785	5.269	4	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Mn)(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Mn)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	130.1050	0.000	1	130.1050	0.000	1	130.6610	0.618	2	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|H<1>,3|C<3>}	131.2170	0.000	1	131.2170	0.000	1	130.6610	0.618	2	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	S[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](S[5]C[5]Cu)(C[5]C[5]H)(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](S[5]C[5]Cu)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(H)3	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Cu<4>,1|C<3>}	130.3190	0.000	1	130.3190	0.000	1	130.3190	0.000	1	128.9157	3.432	5301	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:S[5]-2:	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(S[5]C[5,6])	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3){3|C<3>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	122.8150	0.204	2	122.8150	0.041	2	122.8150	0.041	2	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	128.2800	1.051	5	128.2800	1.105	5	128.3917	0.548	11	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	128.4848	0.434	6	128.4848	0.189	6	128.3917	0.548	11	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CN){1|C<3>,1|H<1>}	128.0890	0.000	1	128.0890	0.000	1	128.0890	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<3>,1|H<1>}	129.6520	0.000	1	129.6520	0.000	1	131.7005	8.393	2	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC)	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|O<1>,1|O<2>}	133.7490	0.000	1	133.7490	0.000	1	131.7005	8.393	2	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[6]-3:O[5]-2:	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[6]C[6]2)(O[5]C[5])	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[6]C[6]2)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	126.8960	0.000	1	126.8960	0.000	1	126.8960	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3){1|Re<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|Re<6>,1|C<4>}	126.4340	0.000	1	126.4340	0.000	1	126.4340	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3){1|N<3>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	126.9765	0.101	2	126.9765	0.010	2	126.9765	0.010	2	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:P[5]-2:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3){1|C<4>,4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	125.8570	0.000	1	125.8570	0.000	1	125.8570	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NC)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NC){1|C<3>,1|C<4>}	128.4270	0.000	1	128.4270	0.000	1	128.4270	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(OH)	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(OH){1|C<3>,1|C<4>}	128.2490	0.000	1	128.2490	0.000	1	128.2490	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SC[5])	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SC[5]){1|Re<6>,1|H<1>}	130.6757	1.675	4	130.6757	2.806	4	130.5568	2.175	5	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SC[6])	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SC[6]){1|Co<4>,1|H<1>}	130.0810	0.000	1	130.0810	0.000	1	130.5568	2.175	5	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]C[5]Mn)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]Mn)(CH3){1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(C[5]N[5]C)(S[5]C[5]){1|Mn<6>,2|C<3>,2|C<4>,2|F<1>}	127.1530	0.000	1	127.1530	0.000	1	127.1530	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5a]N[5a]2)(C[5]N[5]C)(N[5]O[5])	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3){2|N<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5a]N[5a]2)(C[5]N[5]C)(N[5]O[5]){1|C<3>,1|O<1>,1|O<2>}	132.5240	0.000	1	132.5240	0.000	1	132.5240	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5a]S[5])(N[5]C[5]Ru)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[5a]S[5])(N[5]C[5]Ru)(CH3){1|S<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	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>}	125.0110	0.000	1	125.0110	0.000	1	125.0110	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[5]H)(CH3){1|S<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	131.4230	0.000	1	131.4230	0.000	1	130.9157	0.540	3	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3){1|S<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	130.0730	0.000	1	130.6620	0.694	2	130.9157	0.540	3	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3){3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	131.2510	0.000	1	130.6620	0.694	2	130.9157	0.540	3	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](N[5]N[5]Co)(C[5]C[5]S)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SC[6])	C[5](N[5]N[5]Co)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SC[6]){1|Co<4>,1|H<1>}	129.3010	0.000	1	129.3010	0.000	1	129.0726	2.329	5	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](N[5]N[5]Re)(C[5]C[5]S)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SC[5])	C[5](N[5]N[5]Re)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SC[5]){1|Re<6>,1|H<1>}	129.0155	1.756	4	129.0155	3.084	4	129.0726	2.329	5	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-2:	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CN)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CN){1|Ni<4>,1|H<1>}	129.0700	0.000	1	129.0700	0.000	1	129.0700	0.000	1	128.5974	5.318	40	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C-3:C[5]-3:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3)	C(C[5]C[5]2)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3){2|C<3>}	C(C[5]C[5]2)(F)3	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>}	129.7705	0.317	2	129.7705	0.101	2	129.7705	0.101	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CF3)	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)2(CF3){2|C<3>}	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){4|C<3>}	126.7000	0.000	1	126.7000	0.000	1	125.3360	3.721	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CF3)	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO)	C[5](C[5]C[5]C)2(CF3){2|C<3>}	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO){4|C<3>}	123.9720	0.000	1	123.9720	0.000	1	125.3360	3.721	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	128.9415	0.148	2	128.9415	0.022	2	129.2027	0.216	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	129.7250	0.000	1	129.7250	0.000	1	129.2027	0.216	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	125.4080	0.000	1	125.4080	0.000	1	126.8965	6.362	11	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(COO){1|C<3>,1|H<1>}	129.6780	0.000	1	129.6780	0.000	1	126.8965	6.362	11	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(CCH){1|O<1>}	131.9750	0.000	1	131.9750	0.000	1	126.8965	6.362	11	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|C<3>}	123.7130	0.000	1	123.7130	0.000	1	126.8965	6.362	11	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CCO)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CCO){1|C<3>,1|H<1>}	128.2850	0.000	1	128.2850	0.000	1	126.8965	6.362	11	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CC[6a]H)	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CC[6a]H){2|C<4>}	125.0315	1.257	2	125.0315	1.579	2	126.8965	6.362	11	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CCC)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CCC){2|C<3>}	125.3545	0.103	2	125.3545	0.011	2	126.8965	6.362	11	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(COO)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(COO){2|C<3>}	128.0150	0.112	2	128.0150	0.012	2	126.8965	6.362	11	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH)	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH){1|C<4>,2|C<3>,2|H<1>}	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:P[5]-3:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(P[5]C[5]O)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|O<2>,1|P<3>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(P[5]C[5]O){1|O<2>,2|C<4>,3|C<3>}	124.5390	0.418	4	124.5390	0.175	4	124.5390	0.175	4	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	127.3595	0.298	2	127.3595	0.089	2	125.6750	8.557	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(CH3){1|O<1>,5|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	122.3060	0.000	1	122.3060	0.000	1	125.6750	8.557	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	122.6600	0.000	1	122.6600	0.000	1	123.8507	1.360	7	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>,1|O<1>}	123.0290	0.000	1	123.0290	0.000	1	123.8507	1.360	7	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]C){1|C<4>,1|O<1>}	126.0110	0.000	1	126.0110	0.000	1	123.8507	1.360	7	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<2>,1|O<1>}	124.4030	0.000	1	123.6650	1.089	2	123.8507	1.360	7	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	122.9270	0.000	1	123.6650	1.089	2	123.8507	1.360	7	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	123.6310	0.000	1	123.6310	0.000	1	123.8507	1.360	7	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|O<1>,1|O<2>}	124.2940	0.000	1	124.2940	0.000	1	123.8507	1.360	7	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]2)(COO)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]2)(COO){2|C<4>,3|C<3>}	126.7075	0.556	2	126.7075	0.310	2	126.4688	0.182	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[5]O)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Si<4>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[5]O){1|Si<4>,1|C<4>}	126.3495	0.379	4	126.3495	0.144	4	126.4688	0.182	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3){1|O<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	128.4100	0.204	2	128.4100	0.041	2	128.4100	0.041	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,4|H<1>}	126.7080	0.000	1	126.7080	0.000	1	125.4920	12.683	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2{1|I<1>,4|C<3>}	123.5720	0.808	2	123.5720	0.652	2	125.4920	12.683	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3){1|C<4>,4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C){2|H<1>,3|C<3>}	120.6610	0.000	1	120.6610	0.000	1	125.4920	12.683	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	130.3990	0.000	1	130.3990	0.000	1	125.4920	12.683	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(CH3){1|O<1>,5|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|H<1>,4|C<3>}	128.0400	0.000	1	128.0400	0.000	1	125.4920	12.683	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	125.4200	0.000	1	125.4200	0.000	1	127.4970	8.628	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H)	C[5](C[5]C[6a]N[5])2(CH3){1|Cu<4>,1|H<1>,4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	129.5740	0.000	1	129.5740	0.000	1	127.4970	8.628	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:P[5]-3:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]C)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	124.2420	0.000	1	124.2420	0.000	1	125.4404	1.009	5	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:P[5]-3:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]O)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	125.7400	0.864	4	125.7400	0.746	4	125.4404	1.009	5	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])2(CH3){1|Cu<4>,1|H<1>,4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]C){3|C<3>,3|H<1>}	125.6810	0.000	1	125.6810	0.000	1	125.6810	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:P[5]-3:C[5]-3:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(P[5]C[5]Sn)(C[5]C[5]C)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Sn<4>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(P[5]C[5]Sn)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	125.0170	0.000	1	125.0170	0.000	1	125.0170	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CCN)	C[5](C[5]N[5]C)2(CH3){1|Cu<4>,1|Pt<4>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CCN){1|Pt<4>,1|C<3>}	129.6620	0.660	3	129.6620	0.435	3	128.4524	1.354	9	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Pt)(C[5]C[5]C)(CCN)	C[5](C[5]N[5]C)2(CH3){1|Cu<4>,1|Pt<4>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Pt)(C[5]C[5]C)(CCN){1|Cu<4>,1|C<3>}	127.1467	0.436	3	127.1467	0.190	3	128.4524	1.354	9	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CCN)	C[5](C[5]N[5]C)2(CH3){2|Zn<5>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CCN){1|Zn<5>,1|C<3>}	128.5487	0.158	3	128.5487	0.025	3	128.4524	1.354	9	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	131.7160	0.000	1	131.7160	0.000	1	131.7160	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]H){2|C<3>,2|C<4>,2|H<1>}	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	125.6615	0.363	2	125.2330	0.617	3	125.2330	0.617	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,3|C<3>,3|C<4>}	124.3760	0.000	1	125.2330	0.617	3	125.2330	0.617	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Sn)(C[5]C[5]C)(CCN)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Sn<4>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Sn)(C[5]C[5]C)(CCN){1|C<3>,1|C<4>}	126.4460	0.000	1	126.4460	0.000	1	126.3207	0.462	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|C<4>,1|H<1>,2|C<3>}	125.5870	0.000	1	125.5870	0.000	1	126.3207	0.462	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(COW)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(COW){1|C<4>,1|H<1>,2|C<3>}	126.9290	0.000	1	126.9290	0.000	1	126.3207	0.462	3	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<3>,2|C<4>}	126.7770	0.000	1	126.7770	0.000	1	130.3124	4.733	8	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<3>,1|C<4>,1|H<1>}	128.5790	0.467	2	128.5790	0.218	2	130.3124	4.733	8	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CPdN)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CPdN){2|C<4>}	130.6800	0.966	2	130.6800	0.933	2	130.3124	4.733	8	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Cd<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(COO){1|Cd<6>,1|H<1>}	132.3590	0.000	1	132.2735	0.015	2	130.3124	4.733	8	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(COO){1|Co<6>,1|H<1>}	132.1880	0.000	1	132.2735	0.015	2	130.3124	4.733	8	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO){1|Zn<4>,1|H<1>}	132.6570	0.000	1	132.6570	0.000	1	130.3124	4.733	8	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|H<1>,2|N<3>}	130.6106	0.889	28	130.6106	0.790	28	130.6106	0.790	28	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC){1|C<3>,1|C<4>}	130.6754	0.473	8	130.6754	0.223	8	131.0183	0.584	15	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NSnC)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(NSnC){1|C<3>,1|C<4>}	131.6040	0.000	1	131.6040	0.000	1	131.0183	0.584	15	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(NOO)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(NOO){2|C<4>}	131.6583	0.874	4	131.6583	0.765	4	131.0183	0.584	15	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(NHH)	C[5](C[5]C[5]N)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(NHH){1|Co<4>,1|H<1>}	130.8175	1.146	2	130.8175	1.314	2	131.0183	0.584	15	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CCO)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CCO){1|C<4>,1|H<1>}	132.1980	0.000	1	132.1980	0.000	1	132.0665	0.035	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(COO){1|C<4>,1|H<1>}	131.9350	0.000	1	131.9350	0.000	1	132.0665	0.035	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O)	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	132.7580	0.000	1	132.7580	0.000	1	132.7580	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Co<6>,2|C<3>,3|H<1>}	128.2680	0.000	1	128.2680	0.000	1	130.9029	4.353	14	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|C<3>,4|H<1>}	132.7690	2.312	2	133.2275	3.034	4	130.9029	4.353	14	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Co<6>,2|C<3>,3|H<1>}	132.4790	0.000	1	133.2275	3.034	4	130.9029	4.353	14	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	134.8930	0.000	1	133.2275	3.034	4	130.9029	4.353	14	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	129.4760	0.000	1	130.1624	1.750	9	130.9029	4.353	14	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	130.2483	1.387	8	130.1624	1.750	9	130.9029	4.353	14	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3){1|H<1>,1|S<1>,4|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	131.9370	0.000	1	131.9370	0.000	1	131.9370	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3){4|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	130.0630	0.000	1	130.0630	0.000	1	130.0630	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ag)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ag<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ag)(C[5]N[5]C)(CHN){2|H<1>}	131.7960	0.000	1	131.7960	0.000	1	132.0690	0.562	13	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Cu<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHN){2|H<1>}	130.8125	0.332	2	130.8125	0.110	2	132.0690	0.562	13	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Fe<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Fe)(C[5]N[5]C)(CHN){2|H<1>}	132.6265	0.339	2	132.6265	0.115	2	132.0690	0.562	13	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHN){2|H<1>}	131.8460	0.179	3	131.8460	0.032	3	132.0690	0.562	13	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CNO)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CNO){2|H<1>}	132.8905	0.134	2	132.8905	0.018	2	132.0690	0.562	13	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN){2|H<1>}	132.3013	0.679	3	132.3013	0.462	3	132.0690	0.562	13	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3){1|Co<6>,1|H<1>,2|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	134.4280	0.000	1	134.4280	0.000	1	134.4160	0.000	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>,2|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	134.4040	0.000	1	134.4040	0.000	1	134.4160	0.000	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O){1|C<3>,1|C<4>,1|O<2>}	127.4020	0.000	1	127.4020	0.000	1	128.1157	1.557	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<4>,2|C<3>}	127.7145	0.647	4	127.7145	0.419	4	128.1157	1.557	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|Zn<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO){2|Zn<4>}	130.4340	0.000	1	130.4340	0.000	1	128.1157	1.557	6	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]N[5]Co)(C[5]C[5]N)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(NHH)	C[5](N[5]N[5]Co)(C[5]C[5]N)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(NHH){1|Co<4>,1|H<1>}	127.9050	0.259	2	127.9050	0.067	2	127.9050	0.067	2	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN){1|Co<4>,1|C<4>}	130.6520	0.000	1	130.2860	0.148	9	129.5042	1.124	38	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN){1|Co<5>,1|C<4>}	130.8660	0.000	1	130.2860	0.148	9	129.5042	1.124	38	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CH3){1|Co<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN){1|Co<4>,1|H<1>}	130.1509	0.312	7	130.2860	0.148	9	129.5042	1.124	38	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3){1|Ni<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN){1|Ni<5>,1|H<1>}	129.8810	0.654	6	129.2616	1.186	29	129.5042	1.124	38	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN){1|Ni<4>,1|H<1>}	129.0266	1.237	17	129.2616	1.186	29	129.5042	1.124	38	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN){1|Ni<5>,1|H<1>}	129.3080	0.816	6	129.2616	1.186	29	129.5042	1.124	38	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]P[5])(C[5]P[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](P[5]C[6a]P[5])(C[5]N[5]C)(CCN)	C[5](N[5]C[6a]P[5])(C[5]P[5]C)(CH3){4|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](P[5]C[6a]P[5])(C[5]N[5]C)(CCN){4|C<3>}	125.3420	0.000	1	125.3420	0.000	1	125.3420	0.000	1	128.9576	7.750	205	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|Si<4>,1|C<4>,1|P<3>}	123.2890	0.000	2	122.9306	0.942	12	122.8881	0.808	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|S<1>,2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	123.6545	0.982	2	122.9306	0.942	12	122.8881	0.808	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	123.5280	1.550	2	122.9306	0.942	12	122.8881	0.808	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	121.9110	0.348	4	122.9306	0.942	12	122.8881	0.808	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|P<3>,2|C<4>}	123.2900	0.438	2	122.9306	0.942	12	122.8881	0.808	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3){1|As<3>,1|N<3>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|As<3>,1|Si<4>,1|C<4>}	122.6330	0.000	2	122.6330	0.000	2	122.8881	0.808	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,5a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3)	C(C[5]C[5,5a]C[5])(H)3	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]C[5])(H)3	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	128.8210	0.000	1	128.8210	0.000	1	128.8210	0.000	1	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)2(CH3)	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3){1|Se<2>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)2(CH3){2|Se<2>,1|C<4>}	123.4590	0.000	1	123.4590	0.000	1	121.1647	2.410	4	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	120.4000	0.324	3	120.4000	0.105	3	121.1647	2.410	4	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){1|B<3>,1|C<3>}	128.6260	0.000	1	129.1965	0.651	2	129.1965	0.651	2	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){2|C<3>}	129.7670	0.000	1	129.1965	0.651	2	129.1965	0.651	2	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CF3)	C(C[5]C[5]2)(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3)	C[5](C[5]N[5]C)2(CF3){2|Cu<3>}	C(C[5]C[5]2)(F)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3){1|Cu<3>,1|C<4>}	128.2145	0.043	2	128.2145	0.002	2	128.2145	0.002	2	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	122.6170	0.629	2	122.5043	0.332	12	122.5599	0.301	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|S<1>,2|C<3>,3|C<4>}	122.1065	0.634	2	122.5043	0.332	12	122.5599	0.301	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,2|C<3>,3|C<4>}	122.9245	0.797	2	122.5043	0.332	12	122.5599	0.301	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,2|C<3>,3|C<4>}	122.1680	0.405	4	122.5043	0.332	12	122.5599	0.301	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|Si<4>,1|C<4>,1|P<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,2|C<4>}	123.0420	0.000	2	122.5043	0.332	12	122.5599	0.301	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|As<3>,1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3){1|As<3>,1|N<3>,4|C<4>}	122.8930	0.000	2	122.8930	0.000	2	122.5599	0.301	14	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]C)2(CH3){2|Se<2>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]Se[6])(C[5]C[5]C)(CH3){1|Se<2>,3|C<4>}	122.2070	0.000	1	122.2070	0.000	1	121.0763	0.920	4	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]P[5,6]C[6])(C[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	120.6993	0.726	3	120.6993	0.527	3	121.0763	0.920	4	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	121.2175	0.722	2	121.4633	0.479	4	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	121.7090	0.822	2	121.4633	0.479	4	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|C<4>,1|W<6>}	120.2290	0.000	1	120.2290	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	123.4370	0.000	2	123.4370	0.000	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>}	132.8530	0.000	1	132.8530	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CCHH){1|O<1>,2|H<1>}	126.8860	0.000	1	126.8860	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CHHN)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CHHN){1|C<4>,1|H<1>,1|O<1>}	128.8160	0.000	1	128.8160	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|H<1>,1|P<4>}	122.4540	0.000	1	124.5701	2.627	11	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	124.7817	1.540	10	124.5701	2.627	11	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	126.6678	1.983	17	126.6678	3.934	17	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	127.8967	1.625	4	127.8967	2.641	4	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	125.3992	0.575	4	125.3992	0.331	4	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>}	131.6610	0.000	1	131.6610	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	130.1840	0.098	2	130.1840	0.010	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	130.3350	0.395	2	130.3350	0.156	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|N<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH){1|O<1>}	131.0110	0.000	1	131.0110	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH){1|O<1>}	131.7590	0.000	1	131.7590	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	131.3625	0.066	2	131.3625	0.004	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	120.8215	0.669	4	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	119.8390	0.578	2	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>}	124.6240	0.151	2	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	119.8495	0.580	4	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	120.3890	0.096	2	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Rh<8>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Rh<8>,2|C<4>}	120.7125	0.093	2	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Tm<14>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Tm<14>,1|C<4>}	120.0360	0.943	2	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|C<4>}	121.0040	0.011	2	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|Co<7>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|Co<7>,1|C<4>}	120.4860	0.731	2	120.7666	1.935	22	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	120.1205	0.685	4	120.3230	0.520	7	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|C<3>}	120.3885	1.037	2	120.3230	0.520	7	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,2|C<3>}	121.0020	0.000	1	120.3230	0.520	7	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	120.8550	0.000	1	120.4555	0.319	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Sn<4>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Sn<4>,3|C<3>}	120.0560	0.000	1	120.4555	0.319	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Si<4>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){2|C<3>}	119.6927	0.671	4	119.6927	0.450	4	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|C<4>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|W<6>,2|H<1>}	121.0810	0.000	1	121.0810	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	120.0600	0.000	1	121.3994	0.447	7	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	121.6690	0.405	4	121.3994	0.447	7	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>}	121.5300	0.267	2	121.3994	0.447	7	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|H<1>}	121.2545	0.077	2	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<4>,1|H<1>,1|S<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<4>,1|H<1>,1|S<1>}	121.0400	0.208	3	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Cl<1>,1|H<1>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Cl<1>,1|H<1>,1|W<6>}	121.6190	0.091	2	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	121.5945	0.162	2	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|S<2>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|S<2>,1|W<6>}	121.1635	0.127	2	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,2|C<3>}	121.5465	0.169	2	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>}	122.1105	0.407	2	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	121.3061	0.655	8	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Ru<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Ru<4>,1|C<3>,1|H<1>}	121.5543	0.841	6	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Mn<6>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Mn<6>,1|H<1>}	122.0700	0.000	1	121.4514	0.318	30	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Ru<7>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|Ru<7>,1|H<1>,2|C<3>}	121.6360	0.000	1	121.6360	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){3|C<4>}	122.4200	0.000	2	122.4200	0.000	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){1|H<1>,2|C<4>}	122.7230	0.000	1	126.5636	1.978	11	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	126.9477	0.629	10	126.5636	1.978	11	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	126.2343	0.368	4	126.2343	0.135	4	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<3>,2|C<4>}	123.5145	0.906	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<4>,2|C<4>}	123.3047	0.561	12	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<6>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<6>,1|C<4>,1|H<1>}	123.4580	0.382	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|As<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|As<3>,1|C<4>,1|H<1>}	122.5258	0.711	6	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|As<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|As<3>,2|C<4>}	123.9843	2.455	4	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	123.5002	0.391	12	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|B<6>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|B<6>,2|C<4>}	123.0064	0.734	8	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	122.4690	0.000	1	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>}	123.1805	0.022	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){2|C<4>}	127.4215	0.316	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	122.7616	0.666	8	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|P<4>}	124.1302	0.693	10	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	123.8783	1.547	18	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	124.1376	1.418	14	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,1|Si<4>,1|C<4>}	124.0010	0.039	4	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	123.6989	1.119	26	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	122.3187	0.874	4	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Hg<2>,1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Hg<2>,1|Si<4>,1|C<4>}	123.3485	0.465	22	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	127.1172	0.999	6	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<4>,1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<4>,1|Si<4>,1|C<4>}	124.2775	0.311	4	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<4>,2|C<4>}	125.1635	1.012	4	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|N<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|N<3>,2|C<4>}	123.0205	0.514	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|O<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|O<3>,2|C<4>}	122.4778	0.615	4	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	122.9114	0.834	10	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	122.7292	0.683	46	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Sb<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Sb<3>,1|C<4>,1|H<1>}	123.6542	0.195	6	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<3>,1|C<4>,1|H<1>}	122.8875	0.457	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	122.9577	0.369	6	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	123.2019	0.543	12	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>}	124.7250	0.209	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	123.0829	0.957	25	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<5>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<5>,2|C<4>}	122.9025	0.383	4	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	124.2571	0.672	26	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>}	127.0180	1.868	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){2|C<4>}	125.9139	1.237	731	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CH3){3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){3|C<4>}	122.7800	0.465	2	125.1828	2.732	1051	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ir<6>,1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<6>,1|C<3>,1|N<3>,2|C<4>}	124.8660	0.000	1	123.7177	2.290	3	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ir<7>,1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<7>,1|C<3>,1|N<3>,2|C<4>}	123.1435	1.613	2	123.7177	2.290	3	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	126.3400	0.148	2	126.3400	0.022	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<6>,1|C<3>,1|N<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ir<6>,1|C<3>,1|C<4>}	123.7890	0.000	1	123.6773	0.146	3	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<7>,1|C<3>,1|N<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ir<7>,1|C<3>,1|C<4>}	123.6215	0.523	2	123.6773	0.146	3	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|S<1>,3|C<3>}	121.1052	0.338	6	120.8230	0.499	14	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|O<2>,1|P<3>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	121.3582	0.362	4	120.8230	0.499	14	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,1|P<4>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,3|C<3>}	119.8645	0.275	4	120.8230	0.499	14	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3){1|N<3>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3){1|N<3>,2|C<3>}	126.7785	0.497	2	126.7785	0.247	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Sn<4>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Sn<4>,1|C<3>}	121.2350	0.000	1	121.2555	0.001	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	121.2760	0.000	1	121.2555	0.001	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|Ru<7>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Ru<7>,1|C<3>}	119.8820	0.000	1	119.8820	0.000	1	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|S<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|C<3>}	119.3085	0.354	6	119.6049	0.240	14	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|O<2>,1|P<3>,2|C<3>}	119.6437	0.559	4	119.6049	0.240	14	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,1|P<4>,2|C<3>}	120.0105	0.346	4	119.6049	0.240	14	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Si<4>,1|C<3>}	119.3035	1.352	4	119.3035	1.828	4	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>,2|C<4>}	118.6718	0.232	4	119.9542	4.002	6	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>}	122.5190	0.339	2	119.9542	4.002	6	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>}	125.9635	0.019	2	125.9635	0.000	2	124.8369	4.724	1250	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(PCCN)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(PCCN){2|C<4>}	127.1375	0.614	2	127.1375	0.378	2	127.7052	1.884	10	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(PC[5]CC)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(PC[5]CC){2|C<4>}	128.8350	1.223	4	128.8350	1.495	4	127.7052	1.884	10	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(PC[6a]2C)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(PC[6a]2C){2|C<4>}	126.8593	1.077	4	126.8593	1.161	4	127.7052	1.884	10	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]Y)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Y<14>,1|C<5>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]Y)(CH3){1|C<4>,1|C<5>}	127.2425	0.029	2	127.2425	0.001	2	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(CH3){1|B<4>,1|W<7>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	126.9149	1.113	11	126.9149	1.238	11	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Ca<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	126.9530	0.736	5	127.2517	1.063	21	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Cu<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	127.4615	1.204	12	127.2517	1.063	21	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Mg<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	126.4960	0.000	1	127.2517	1.063	21	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Sr<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Sr<6>,1|C<4>}	127.1620	0.893	3	127.2517	1.063	21	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Co<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	126.5798	1.007	4	126.8047	0.568	8	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Ni<6>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	127.0298	0.419	4	126.8047	0.568	8	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(CH3){1|B<4>,1|W<7>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	127.1416	0.948	12	127.1416	0.898	12	127.0921	0.927	54	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH){1|C<3>,1|C<4>}	124.0390	0.000	1	124.0390	0.000	1	124.4910	0.196	3	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(CH3){2|C<4>}	124.7170	0.293	2	124.7170	0.086	2	124.4910	0.196	3	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-3:Si-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(SiC3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(P[5]C[5]C)(SiC3){1|C<3>,1|C<4>}	125.2680	0.971	4	125.2680	0.943	4	125.2680	0.943	4	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]C[5]Sm)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Sm<14>,1|C<5>}	C(C[5]C[5]2)(H)3	C[5](N[5]C[5]Sm)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	127.3520	0.185	2	127.3520	0.034	2	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	122.3350	0.000	1	122.3350	0.000	1	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	121.9330	0.000	1	121.9330	0.000	1	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Re)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3){1|Re<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Re)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>}	128.3470	0.000	1	128.3470	0.000	1	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Ca)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Ca<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Ca)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	128.1777	0.757	6	128.1777	0.574	6	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Co<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	127.7445	1.168	4	127.7445	1.365	4	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Cu<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CH3){2|C<4>}	126.8551	1.478	12	126.8551	2.184	12	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Mg)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Mg<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Mg)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	128.3080	0.000	1	128.3080	0.000	1	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Ni<6>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	127.3287	0.766	4	127.3287	0.587	4	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Re)(C[5]C[5]C)(CC3)	C[5](C[5]N[5]C)2(CH3){1|Re<5>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Re)(C[5]C[5]C)(CC3){1|C<4>}	126.5605	0.732	2	126.5605	0.536	2	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Sr)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CH3){1|Sr<6>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](N[5]N[5]Sr)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	127.9077	0.815	3	127.9077	0.665	3	127.1376	2.756	37	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3){1|Fe<12>,4|C<4>}	124.5250	0.110	2	125.2673	0.795	4	125.6970	0.689	8	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3){1|Li<8>,4|C<4>}	126.0095	0.409	2	125.2673	0.795	4	125.6970	0.689	8	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Pb)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pb<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Pb)(C[5]C[5]C)(CC3){2|C<4>}	126.5675	0.421	2	126.5675	0.177	2	125.6970	0.689	8	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Tm)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Tm<14>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Tm)(C[5]C[5]C)(CC3){2|C<4>}	125.6860	0.096	2	125.6860	0.009	2	125.6970	0.689	8	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]Y)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]Y)(CH3){1|C<4>,1|C<5>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Y<14>,1|C<5>}	128.3985	0.138	2	128.3985	0.019	2	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH){1|Mo<6>,1|B<4>}	129.9478	0.905	6	129.3852	0.808	12	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH){1|Ni<6>,1|B<4>}	129.1557	0.328	3	129.3852	0.808	12	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH){1|Sm<6>,1|B<4>}	128.4893	0.244	3	129.3852	0.808	12	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH){1|Co<6>,1|B<4>}	129.3382	0.422	6	129.4216	0.162	9	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH){1|Fe<6>,1|B<4>}	129.5883	0.372	3	129.4216	0.162	9	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|B<4>,1|W<7>}	129.5319	1.353	12	129.5319	1.829	12	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>}	129.3830	0.604	3	129.3830	0.364	3	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Ca<6>,1|C<3>}	129.4153	0.380	6	129.7075	1.020	22	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Cu<3>,1|C<4>}	129.9507	1.300	12	129.7075	1.020	22	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Mg<6>,1|C<3>}	129.8030	0.000	1	129.7075	1.020	22	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Sr<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Sr<6>,1|C<3>}	129.2870	0.412	3	129.7075	1.020	22	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	130.2330	0.000	1	130.2330	0.000	1	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	129.9380	0.000	1	130.0043	0.071	3	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	130.0375	0.367	2	130.0043	0.071	3	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5]HH){2|H<1>}	130.8409	0.680	54	130.8684	0.455	60	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	131.1162	0.624	6	130.8684	0.455	60	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5a]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5a]HH){2|H<1>}	131.0243	0.862	14	130.9859	0.712	15	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5a]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5a]HH){1|Zn<4>,1|H<1>}	130.4480	0.000	1	130.9859	0.712	15	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Co<4>,1|H<1>}	130.2570	0.748	4	130.8316	1.052	8	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Ni<6>,1|H<1>}	131.4062	1.007	4	130.8316	1.052	8	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]W)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|B<4>,1|W<7>}	125.6285	0.832	12	125.6285	0.693	12	129.9474	2.639	159	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	128.6173	0.608	3	128.6173	0.370	3	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3){1|C<4>,1|H<1>}	131.4313	0.655	3	131.4313	0.429	3	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<3>,1|C<4>}	128.2634	0.472	12	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	128.4979	1.493	18	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<2>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<2>,1|C<4>}	130.7755	0.569	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<3>,1|C<4>}	131.0645	0.281	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	129.0468	2.025	38	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	129.5017	1.852	36	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	128.4445	1.239	6	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Be<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Be<3>,1|C<4>}	129.2267	0.488	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	129.8995	0.602	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	128.5195	2.810	35	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	130.1937	0.942	31	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|I<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|I<1>}	130.7722	0.096	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	128.6037	1.124	36	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	128.9078	1.243	101	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	130.1511	1.397	34	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	129.4385	1.670	26	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	128.9052	2.049	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<1>}	127.5210	0.000	1	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	129.2822	1.870	17	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	129.6362	1.675	5	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cl<1>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cl<1>,1|C<4>}	131.3660	0.489	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<3>,1|C<4>}	126.5658	0.216	6	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	128.9183	1.540	58	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cu<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cu<3>,1|C<4>}	130.3825	0.624	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<3>,1|C<4>}	128.4522	0.825	12	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	128.4936	1.229	95	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<5>,1|C<4>}	127.8350	0.441	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<6>,1|C<4>}	128.8460	0.177	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<7>,1|C<4>}	127.8058	0.682	9	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<8>,1|C<4>}	128.1475	1.260	6	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	129.8110	1.630	3	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	128.6977	1.406	24	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	129.9537	1.429	38	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	127.3866	0.566	24	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	127.9390	0.407	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<7>,1|C<4>}	127.7698	0.712	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	131.1519	0.747	18	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	131.3328	0.336	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	129.6498	1.606	8	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<4>,1|C<4>}	131.1710	0.098	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	130.0662	1.796	12	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<8>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<8>,1|C<4>}	129.1630	0.246	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	129.3936	1.557	5	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	129.7462	1.539	6	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	128.7449	1.233	70	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<5>,1|C<4>}	130.8650	0.100	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	131.3946	0.057	5	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<4>}	128.4745	1.726	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<7>,1|C<4>}	131.0960	0.170	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	129.6160	1.749	8	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Re<6>,1|C<4>}	127.0412	0.530	16	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	128.4289	1.283	12	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	128.4025	0.261	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	129.8637	1.144	26	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	129.5426	1.138	18	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	129.2865	1.498	22	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	130.8560	0.161	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>}	127.1232	0.698	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	129.6007	1.620	35	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	129.3232	1.883	65	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	127.4065	0.083	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<2>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<2>,1|C<4>}	130.7920	0.244	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	128.9383	1.493	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<12>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<12>,1|C<4>}	130.8553	0.544	4	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	128.3793	1.301	8	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Zn<4>,1|C<4>}	128.2580	0.038	2	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	130.2984	1.136	32	129.1135	2.658	1117	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|C<4>}	131.3660	0.000	1	129.1800	9.557	2	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ru<6>,1|C<4>}	126.9940	0.000	1	129.1800	9.557	2	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ru<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|H<1>}	131.3930	0.000	1	130.8550	0.579	2	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	130.3170	0.000	1	130.8550	0.579	2	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	132.0740	0.000	1	132.0740	0.000	1	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS){2|H<1>}	131.7525	0.269	2	131.7525	0.073	2	129.1289	2.678	1130	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){1|C<3>,1|C<4>}	131.0010	0.000	1	131.0010	0.000	1	130.6973	2.295	16	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.9750	0.000	1	129.7740	1.950	7	130.6973	2.295	16	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	129.7105	0.080	2	129.7740	1.950	7	130.6973	2.295	16	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<5>,1|C<4>,2|C<3>}	129.5055	1.821	4	129.7740	1.950	7	130.6973	2.295	16	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Cu<5>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN){2|H<1>}	131.5690	0.000	1	131.5690	0.000	1	130.6973	2.295	16	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHHN){1|C<4>,1|H<1>}	132.0213	0.334	4	132.0213	0.112	4	130.6973	2.295	16	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Zn<6>,1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	130.6947	2.069	3	130.6947	4.283	3	130.6973	2.295	16	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:P[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(P[5]C[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|C<4>}	127.7005	0.598	2	127.7005	0.357	2	127.7005	0.357	2	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3)	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3)	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3){1|Cl<1>,1|C<3>,1|N<2>,2|S<2>}	C(C[5]N[5,5]C[5])(H)3	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3){1|Cl<1>,1|C<3>,1|N<2>,2|S<2>}	122.7500	0.926	2	122.7500	0.858	2	122.7500	0.858	2	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3)	C(C[5]N[5,6]C[5])(H)3	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5,6]C[5])(H)3	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	130.8290	0.000	1	130.8290	0.000	1	130.8290	0.000	1	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3)	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(CF3)	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CF3){1|Cu<3>,1|C<4>}	C(C[5]C[5]N[5])(F)3	C[5](C[5]N[5]C)2(CF3){2|Cu<3>}	129.3190	1.007	2	129.3190	1.014	2	129.3190	1.014	2	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Sm)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Sm)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Sm<14>,1|C<5>}	128.4770	0.071	2	128.4770	0.005	2	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Ti)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Ti)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ti<9>,1|H<1>}	129.0440	0.000	1	129.0440	0.000	1	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Ca)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Ca)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Ca<6>,1|C<3>}	128.6488	0.192	6	128.6488	0.037	6	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH){1|Co<6>,1|B<4>}	128.3507	0.745	6	128.3507	0.556	6	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Co<4>,1|H<1>}	128.6562	0.751	4	128.6562	0.564	4	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Cu)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Cu<3>,1|C<4>}	127.8573	0.598	12	127.8573	0.357	12	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH){1|Fe<6>,1|B<4>}	126.6800	0.128	3	126.6800	0.016	3	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Mg)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Mg)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Mg<6>,1|C<3>}	127.9910	0.000	1	127.9910	0.000	1	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Mo)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH)	C[5](N[5]N[5]Mo)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH){1|Mo<6>,1|B<4>}	127.7833	0.753	6	127.7833	0.567	6	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH)	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH){1|Ni<6>,1|B<4>}	127.9367	0.500	3	127.9367	0.250	3	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Ni<6>,1|H<1>}	127.2622	0.395	4	127.2622	0.156	4	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[6a]HH){2|Pd<4>}	129.9945	2.116	4	129.9945	4.479	4	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Re)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3){1|Re<6>,1|C<3>}	126.9220	0.000	1	126.9220	0.000	1	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Sm)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH)	C[5](N[5]N[5]Sm)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CCHH){1|Sm<6>,1|B<4>}	128.8030	0.614	3	128.8030	0.377	3	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Sr)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Sr)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CH3){1|Sr<6>,1|C<3>}	128.6257	0.331	3	128.6257	0.110	3	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	129.4705	0.422	6	129.4705	0.178	6	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5a]HH)	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(CC[5a]HH){1|Zn<4>,1|H<1>}	128.7110	0.000	1	128.7110	0.000	1	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,1|N<3>}	126.4260	0.000	1	126.4260	0.000	1	128.2932	1.100	67	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SNOO)	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SNOO){1|Pd<4>,1|C<3>}	131.3060	0.000	1	131.3060	0.000	1	131.4595	0.047	2	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-4:	C[5](N[5]N[5]Pd)(C[5]C[5]S)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SNOO)	C[5](N[5]N[5]Pd)(C[5]C[5]S)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(SNOO){1|Pd<4>,1|C<3>}	131.6130	0.000	1	131.6130	0.000	1	131.4595	0.047	2	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<6>,1|C<3>}	129.1540	0.000	1	129.1540	0.000	1	130.1996	1.299	11	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Zn<6>,1|C<3>}	128.9263	0.243	3	128.9263	0.059	3	130.1996	1.299	11	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|H<1>}	131.6960	0.000	1	130.8947	0.588	7	130.1996	1.299	11	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<3>}	131.2630	0.089	2	130.8947	0.588	7	130.1996	1.299	11	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<5>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	130.5103	0.820	4	130.8947	0.588	7	130.1996	1.299	11	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	131.1440	0.000	1	131.1440	0.000	1	131.1440	0.000	1	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ir<6>,3|C<3>}	129.5775	0.370	2	129.5775	0.137	2	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ir<6>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){2|C<3>}	132.1085	1.047	2	132.1085	1.097	2	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|H<1>,3|C<3>}	131.1310	0.399	2	131.2847	0.180	24	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<2>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<2>,3|C<3>}	131.1790	0.368	2	131.2847	0.180	24	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<4>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<4>,3|C<3>}	130.7580	0.103	2	131.2847	0.180	24	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|S<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|S<1>,3|C<3>}	131.4180	0.171	2	131.2847	0.180	24	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<1>,3|C<3>}	131.1820	0.246	2	131.2847	0.180	24	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<2>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<2>,3|C<3>}	131.4260	0.420	2	131.2847	0.180	24	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){4|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){4|C<3>}	131.3871	0.497	12	131.2847	0.180	24	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Cl<1>,1|Ga<4>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Cl<1>,1|Ga<4>,3|C<3>}	122.5670	0.010	2	123.0375	4.085	10	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Ga<3>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Ga<3>,3|C<3>}	124.3600	0.607	4	123.0375	4.085	10	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|N<3>,1|O<3>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|N<3>,1|O<3>,3|C<3>}	124.3530	0.626	2	123.0375	4.085	10	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){2|Cl<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){2|Cl<1>,3|C<3>}	119.5475	0.074	2	123.0375	4.085	10	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3){3|Cl<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3){3|Cl<1>,3|C<3>}	118.4235	0.057	2	118.4235	0.003	2	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3){4|Cl<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3){4|Cl<1>,3|C<3>}	119.1395	0.917	2	119.1395	0.841	2	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3){3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3){3|C<3>}	128.3562	0.566	10	128.3562	0.320	10	128.1398	18.245	52	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3){1|Fe<12>,4|C<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	126.3270	0.639	2	126.2115	0.277	4	126.2115	0.277	4	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]B[6]C[5])(C[5]C[5]C)(CH3){1|Li<8>,4|C<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|B<4>,1|C<4>}	126.0960	0.608	2	126.2115	0.277	4	126.2115	0.277	4	127.0897	8.550	2856	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C-4:O[5]-2:	C[5](C[5]O[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5])	C[5](C[5]O[5]C)(N[5]C[5]H)(CH3){1|S<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5]){1|H<1>,1|S<1>}	132.3520	0.656	2	132.3520	0.431	2	132.3520	0.431	2	131.2593	3.797	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C-4:S[5]-2:	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	129.0740	0.000	1	129.0740	0.000	1	129.0740	0.000	1	131.2593	3.797	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-4:C[5]-3:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(P[5]C[5]CS)(C[5]C[5]C)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(P[5]C[5]CS)(C[5]C[5]C){1|S<1>,3|C<3>,3|C<4>}	124.8593	0.342	6	124.8593	0.117	6	125.6086	1.354	10	126.3354	2.735	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:P[5]-4:C[5]-3:	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(P[5]C[5]PdC)(C[5]C[5]C)	C[5](C[5]C[5]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,1|P<4>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5])(P[5]C[5]PdC)(C[5]C[5]C){3|C<3>,3|C<4>}	126.7325	1.029	4	126.7325	1.059	4	125.6086	1.354	10	126.3354	2.735	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-4:C[5]-3:	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	127.2440	0.000	1	127.2440	0.000	1	127.2440	0.000	1	126.3354	2.735	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<6>,1|C<3>,1|N<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	127.7000	0.000	1	128.1893	0.353	3	128.1893	0.353	3	126.3354	2.735	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<7>,1|C<3>,1|N<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	128.4340	0.588	2	128.1893	0.353	3	128.1893	0.353	3	126.3354	2.735	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	130.9750	0.000	1	130.9750	0.000	1	130.9750	0.000	1	126.3354	2.735	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:P[5]-4:C[5]-3:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(P[5]C[5]CS)(C[5]C[5]C)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|S<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(P[5]C[5]CS)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	125.6952	0.529	6	125.6952	0.279	6	125.6952	0.279	6	126.3354	2.735	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(CH3){1|N<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]C)(O){1|C<3>,2|H<1>,3|C<4>}	122.6700	0.000	1	122.6700	0.000	1	122.6700	0.000	1	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,1|N<2>}	127.4100	0.000	1	127.4100	0.000	1	127.4100	0.000	1	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5,6]C[5])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]C)(O){3|C<4>}	122.6830	0.000	1	122.6830	0.000	1	121.9003	4.682	3	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,5|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O){1|H<1>,2|C<4>}	123.5640	0.000	1	123.5640	0.000	1	121.9003	4.682	3	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(O){1|C<3>,1|H<1>,1|N<3>}	119.4540	0.000	1	119.4540	0.000	1	121.9003	4.682	3	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	123.1440	0.000	1	123.1440	0.000	1	123.1440	0.000	1	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	122.5610	0.000	1	122.5610	0.000	1	122.0313	0.422	6	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]CO)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]CO)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	122.1510	0.000	1	122.1510	0.000	1	122.0313	0.422	6	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	121.5447	0.472	3	121.8690	0.569	4	122.0313	0.422	6	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CH3){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){3|C<4>}	122.8420	0.000	1	121.8690	0.569	4	122.0313	0.422	6	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](P[5]C[5,6]C[6a]W)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]P[5]H)(CH3){1|C<3>,1|W<6>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](P[5]C[5,6]C[6a]W)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>}	125.6190	0.000	1	125.6190	0.000	1	125.6190	0.000	1	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	126.7400	0.000	1	126.7400	0.000	1	125.9680	1.192	2	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(F)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	125.1960	0.000	1	125.1960	0.000	1	125.9680	1.192	2	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH)	C(C[5]C[5]2)(Cl)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CClHH){2|C<4>}	C(C[5]C[5]2)(Cl)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	130.5680	0.310	2	130.5680	0.096	2	130.5680	0.096	2	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	As[5]-4:C[5]-3:H-1:	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](As[5]C[6a]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](As[5]C[6a]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	123.4910	0.673	2	123.4910	0.453	2	123.0360	0.498	4	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	As[5]-4:C[5]-3:H-1:	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](As[5]C[6a]C[5]Pt)(C[5]C[5]C)(H)	C[5](C[5]As[5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](As[5]C[6a]C[5]Pt)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	122.5810	0.460	2	122.5810	0.211	2	123.0360	0.498	4	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3x5,6,6]-4:C[5]-3:O-1:	C[5](C[5]C[3x5,6,6]O)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[3x5,6,6]O)2(CH3){4|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(O){1|C<3>,4|C<4>,4|O<2>}	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){1|C<3>,5|C<4>}	119.1105	0.391	2	119.4413	0.405	3	119.4413	0.405	3	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){2|C<3>,4|C<4>}	120.1030	0.000	1	119.4413	0.405	3	119.4413	0.405	3	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2O)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2O)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	128.9720	0.000	1	128.9720	0.000	1	128.7490	0.099	2	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	128.5260	0.000	1	128.5260	0.000	1	128.7490	0.099	2	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.2890	0.000	1	120.2890	0.000	1	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	121.1999	0.169	7	121.1999	0.029	7	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(O){1|O<2>,4|C<3>}	120.9180	0.000	1	120.9180	0.000	1	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.1030	0.000	1	122.3575	0.130	2	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	122.6120	0.000	1	122.3575	0.130	2	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.9750	0.000	1	121.9750	0.000	1	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]O)(C[5]O[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	124.7880	0.000	1	124.7880	0.000	1	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]O)(C[5]O[5]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	123.8260	1.100	2	123.8260	1.211	2	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	123.5470	0.233	2	123.5470	0.054	2	122.1076	1.840	17	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	128.7560	0.000	1	128.7560	0.000	1	130.5747	1.309	6	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6]2N[5])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	130.9240	0.000	1	130.9240	0.000	1	130.5747	1.309	6	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	131.4050	0.000	1	131.4050	0.000	1	130.5747	1.309	6	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	130.7877	1.070	3	130.7877	1.145	3	130.5747	1.309	6	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.6170	0.000	1	121.6170	0.000	1	122.8520	3.050	2	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]H)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	124.0870	0.000	1	124.0870	0.000	1	122.8520	3.050	2	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]O)(C[5]C[5]C)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3){1|C<3>,1|O<2>,1|S<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]O)(C[5]C[5]C)(Br){1|O<1>,1|S<4>,2|C<3>}	131.1490	0.000	1	131.1490	0.000	1	131.1490	0.000	1	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]O)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>}	129.7070	0.000	1	129.7070	0.000	1	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){2|C<3>,3|C<4>}	127.7240	0.000	2	127.7240	0.000	2	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>}	130.0280	0.000	1	130.0280	0.000	1	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>}	129.8210	0.000	1	129.4187	0.085	4	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	129.2847	0.141	3	129.4187	0.085	4	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	129.8140	0.000	1	129.8140	0.000	1	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HO)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	130.6530	0.000	1	130.6530	0.000	1	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	130.8280	0.181	3	131.0367	0.196	4	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>}	131.6630	0.000	1	131.0367	0.196	4	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	130.8263	0.997	3	130.9303	0.706	4	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	131.2420	0.000	1	130.9303	0.706	4	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	130.7760	0.000	1	130.7760	0.000	1	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	129.4160	0.000	1	129.4160	0.000	1	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<2>}	132.7615	0.121	2	132.7615	0.015	2	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	130.6347	2.353	7	130.6347	5.537	7	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CO)(C[5]C[5]C)(H){1|O<1>}	131.3870	0.000	1	131.3870	0.000	1	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3){1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	131.3514	0.817	5	131.3514	0.668	5	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H){1|O<2>,3|C<3>}	127.3050	0.000	1	127.3050	0.000	1	130.4667	2.525	36	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<4>}	120.5484	0.497	5	120.5484	0.247	5	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(O){1|N<3>,2|C<4>}	120.7790	0.000	1	120.7790	0.000	1	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	122.9980	0.000	1	122.9980	0.000	1	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	119.7140	0.000	1	120.3387	0.554	3	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	121.1620	0.000	1	120.3387	0.554	3	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<4>}	120.1400	0.000	1	120.3387	0.554	3	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	118.3180	0.000	1	118.3180	0.000	1	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	121.1200	0.000	1	121.7135	0.704	2	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	122.3070	0.000	1	121.7135	0.704	2	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	122.3610	0.000	1	122.0572	2.092	5	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	120.0790	0.000	1	122.0572	2.092	5	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	122.6153	1.309	3	122.0572	2.092	5	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	122.3880	0.000	1	122.3880	0.000	1	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	122.5510	0.000	1	122.5510	0.000	1	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	121.6110	0.000	1	122.2475	0.182	4	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	122.4597	0.059	3	122.2475	0.182	4	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	121.4120	0.000	1	121.4120	0.000	1	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CH3){4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	123.6385	0.019	2	123.6385	0.000	2	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	121.4100	0.000	1	121.4100	0.000	1	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<3>}	121.7485	0.678	2	121.5460	0.353	3	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	121.1410	0.000	1	121.5460	0.353	3	121.5559	1.624	31	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]CS)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<4>,1|H<1>,1|S<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]CS)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	125.0503	0.194	3	125.0503	0.037	3	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]ClW)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Cl<1>,1|H<1>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]ClW)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	124.8435	0.614	2	124.8435	0.378	2	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Mn2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Mn<6>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Mn2)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	124.4930	0.000	1	124.4930	0.000	1	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Ru2)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){2|Ru<7>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Ru2)(C[5]C[5]C)(H){1|C<3>,1|C<4>}	124.3640	0.000	1	124.3640	0.000	1	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]SW)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|S<2>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]SW)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	125.0325	0.101	2	125.0325	0.010	2	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	123.9540	0.137	2	123.9540	0.019	2	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	124.7050	0.214	2	124.7050	0.046	2	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	124.8739	0.812	8	124.7591	0.696	9	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Pd<4>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,3|C<3>}	123.8410	0.000	1	124.7591	0.696	9	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|Ru<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	124.7960	0.678	6	124.7960	0.460	6	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|C<3>,1|C<4>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(H){2|C<3>,2|C<4>}	125.1480	0.000	1	124.6320	0.112	5	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]P[5]H)(CH3){1|W<6>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(H){1|C<4>,3|C<3>}	124.5030	0.196	4	124.6320	0.112	5	124.7226	0.339	33	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:H-1:	C[5](N[5]Si[4,5]C[6a])(C[5]C[4,5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]N[5]C)(H)	C[5](N[5]Si[4,5]C[6a])(C[5]C[4,5]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]N[5]C)(H){1|N<3>,2|C<3>,2|C<4>}	124.9930	0.000	1	124.9930	0.000	1	124.9930	0.000	1	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]N[5]C)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]H)(CH3){1|Zr<13>,2|C<3>,2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]N[5]C)(H){1|Si<5>,1|C<3>,2|C<4>}	128.5370	0.000	1	128.5370	0.000	1	128.5370	0.000	1	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]C)(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<3>,2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]C)(H){1|C<3>,1|H<1>,2|C<4>}	129.6250	0.000	2	129.6250	0.000	2	129.6250	0.000	2	125.2687	15.344	157	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3x5,6,6]-4:C[5]-3:O-2:	C[5](C[5]C[3x5,6,6]O)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(OC)	C[5](C[5]C[3x5,6,6]O)2(CH3){4|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	132.9570	0.000	1	132.9570	0.000	1	132.9570	0.000	1	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	C[5](C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	134.4044	0.269	7	134.4044	0.072	7	134.4044	0.072	7	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	130.0010	0.000	1	130.0010	0.000	1	130.0010	0.000	1	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC){1|O<1>}	129.7780	0.000	1	129.7780	0.000	1	129.7780	0.000	1	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<3>,1|O<1>}	133.3880	0.000	1	134.5115	2.525	2	130.0913	12.584	6	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<4>,1|O<1>}	135.6350	0.000	1	134.5115	2.525	2	130.0913	12.584	6	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH){1|O<1>}	127.2510	0.000	1	127.2510	0.000	1	130.0913	12.584	6	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(C[5]S[5]O)(CH3){2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH){1|O<1>}	127.1770	0.000	1	127.1770	0.000	1	130.0913	12.584	6	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)2(CH3){4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	128.5485	0.004	2	128.5485	0.000	2	130.0913	12.584	6	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:S-2:	C[5](C[5]C[5,6]S)(N[5]C[5,6]S)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(SC)	C[5](C[5]C[5,6]S)(N[5]C[5,6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(SC){1|S<4>,2|H<1>,3|C<3>}	127.9590	0.000	1	127.9590	0.000	1	127.9590	0.000	1	131.8867	9.478	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,5a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3)	C(C[5]C[5,5a]C[5])(H)3	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]C)(CCO)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,5a]C[5])(H)3	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]C)(CCO){1|N<3>,3|C<3>}	129.7040	0.000	1	129.7040	0.000	1	129.7040	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|H<1>,1|N<3>,5|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	127.4320	0.000	1	127.4320	0.000	1	127.7170	0.195	3	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	127.4940	0.000	1	127.4940	0.000	1	127.7170	0.195	3	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	128.2250	0.000	1	128.2250	0.000	1	127.7170	0.195	3	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	129.9963	1.170	3	129.9963	1.370	3	129.9963	1.370	3	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH){2|C<3>}	127.6900	0.000	1	127.6900	0.000	1	128.8413	1.001	3	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO){2|C<3>}	129.3330	0.000	1	129.3330	0.000	1	128.8413	1.001	3	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO){2|C<3>}	129.5010	0.000	1	129.5010	0.000	1	128.8413	1.001	3	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3)	C(C[5]C[5]2)(F)3	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3){2|C<3>,2|C<4>}	C(C[5]C[5]2)(F)3	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	129.6320	0.000	1	129.6320	0.000	1	129.6320	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	132.8300	0.000	1	132.8300	0.000	1	132.8300	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-3:	C[5](C[5]C[4,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]C[5]C)(CHH)	C[5](C[5]C[4,5]C)2(CH3){1|Si<4>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]C[5]C)(CHH){2|N<3>,3|C<4>}	121.0820	0.000	1	121.0820	0.000	1	121.0820	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,6|C<3>}	129.4340	0.000	1	129.4340	0.000	1	129.4340	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC)	C[5](C[5]C[5,6]C)(C[5]O[5]O)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCC){1|O<1>,2|C<4>,4|H<1>}	130.1340	0.000	1	130.1340	0.000	1	130.1340	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	130.6105	1.907	2	130.6105	3.637	2	129.8143	17.318	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[3]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[3]O){1|O<1>,2|H<1>}	130.9720	0.000	1	130.9720	0.000	1	129.8143	17.318	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O){1|C<3>,1|O<1>,1|O<2>}	130.3140	0.000	1	130.3140	0.000	1	129.8143	17.318	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCC){1|O<1>,2|C<3>}	134.1650	0.000	1	134.1650	0.000	1	129.8143	17.318	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH){1|O<1>,2|C<3>}	130.9940	0.000	1	130.9940	0.000	1	129.8143	17.318	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|C<3>,1|O<1>}	121.0340	0.000	1	121.0340	0.000	1	129.8143	17.318	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	131.6380	0.000	1	131.6380	0.000	1	131.6380	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC)	C[5](C[5]C[5]N)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC){1|O<1>}	134.1610	0.296	4	134.1610	0.088	4	134.1610	0.088	4	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,5|C<3>}	129.0490	0.000	1	129.5540	0.510	2	129.4045	0.499	4	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	130.0590	0.000	1	129.5540	0.510	2	129.4045	0.499	4	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	129.2550	0.948	2	129.2550	0.898	2	129.4045	0.499	4	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(CHN){1|C<4>,1|H<1>,2|C<3>}	126.4530	0.000	1	126.4530	0.000	1	126.0238	0.564	5	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	124.7400	0.000	1	124.7400	0.000	1	126.0238	0.564	5	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COO){1|C<4>,1|H<1>,2|C<3>}	126.0570	0.000	1	126.0570	0.000	1	126.0238	0.564	5	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COS)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COS){1|C<4>,1|H<1>,2|C<3>}	126.2260	0.000	1	126.2260	0.000	1	126.0238	0.564	5	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COW)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|W<6>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(COW){1|C<4>,1|H<1>,2|C<3>}	126.6430	0.000	1	126.6430	0.000	1	126.0238	0.564	5	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	123.5820	0.511	4	123.5820	0.261	4	124.0678	1.376	5	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Ru2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|Ru<7>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Ru2)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	126.0110	0.000	1	126.0110	0.000	1	124.0678	1.376	5	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	Si[4]-4:C[5]-3:C[5]-3:	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](Si[4]N[4]2H)(C[5]C[5]C)2	C[5](C[5]Si[4]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](Si[4]N[4]2H)(C[5]C[5]C)2{1|C<3>,4|C<4>}	126.2435	0.221	2	126.2435	0.049	2	126.2435	0.049	2	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:C[5]-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C){1|C<4>,1|H<1>}	132.1180	0.240	2	132.1180	0.058	2	132.1180	0.058	2	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5]-3:C-3:	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(CH3){1|O<2>,3|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|O<1>,1|O<2>,4|C<3>}	128.1740	0.000	1	128.1740	0.000	1	128.1740	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5,5]C[5]3)(C[5]N[5]C)(COO)	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3){1|O<1>,2|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5,5]C[5]3)(C[5]N[5]C)(COO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	130.5070	0.000	1	130.5070	0.000	1	130.5070	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	130.8600	0.000	1	130.8600	0.000	1	131.9117	2.554	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|S<2>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	130.1460	0.000	1	130.1460	0.000	1	131.9117	2.554	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	132.5560	0.000	1	132.5560	0.000	1	131.9117	2.554	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	131.7870	0.000	1	131.7870	0.000	1	131.9117	2.554	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCO){1|H<1>,1|O<1>}	134.5250	0.000	1	134.5250	0.000	1	131.9117	2.554	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO){1|H<1>,1|O<1>}	133.1310	0.000	1	133.1310	0.000	1	131.9117	2.554	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3){2|H<1>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H){1|O<1>}	130.3770	0.000	1	130.3770	0.000	1	131.9117	2.554	7	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3)	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]C)(COO)	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5]N[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]C)(COO){1|C<3>,1|C<4>,1|N<3>}	132.2320	0.000	1	132.2320	0.000	1	132.2320	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]N[5,6a]C[5])(H)3	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]C)(CCO)	C[5](N[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5,6a]C[5])(H)3	C[5](C[5]N[5,6a]C[6a]H)(C[5]N[5,6a]C)(CCO){4|C<3>}	129.4055	0.021	2	129.4055	0.000	2	129.4055	0.000	2	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]Ge[5])(C[5]P[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](P[5]C[6a]2Ge[5])(C[5]N[5]C)(CCN)	C[5](N[5]C[6a]Ge[5])(C[5]P[5]C)(CH3){1|Cl<1>,4|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](P[5]C[6a]2Ge[5])(C[5]N[5]C)(CCN){1|Cl<1>,5|C<3>}	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	129.1161	11.784	58	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]SnC)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3){2|Sn<4>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]SnC)(C[5]C[5,5]C)(CH3){1|C<3>,1|C<4>}	126.5297	0.687	3	126.5297	0.472	3	126.5297	0.472	3	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3){2|C<3>}	123.9820	0.000	1	123.9820	0.000	1	126.3110	10.848	2	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	128.6400	0.000	1	128.6400	0.000	1	126.3110	10.848	2	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]AlSi)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]AlSi)(C[5]C[5,6a]C)(CH3){2|C<3>}	123.7275	0.214	2	123.7275	0.046	2	124.0470	0.581	5	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	124.2600	0.984	3	124.2600	0.969	3	124.0470	0.581	5	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO){2|C<3>}	130.3840	0.000	1	130.3840	0.000	1	130.3840	0.000	1	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]C)2(CH3){1|Ga<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){3|C<4>}	125.3810	0.495	2	125.2365	0.180	4	125.4692	0.421	10	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]C)2(CH3){1|Ga<6>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){2|Fe<6>,2|C<4>,2|S<3>}	125.0920	0.461	2	125.2365	0.180	4	125.4692	0.421	10	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]C)2(CH3){1|In<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Rh<8>,2|C<4>}	125.6610	0.932	4	125.6243	0.578	6	125.4692	0.421	10	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]C)2(CH3){1|In<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Ru<8>,2|C<4>}	125.5510	0.518	2	125.6243	0.578	6	125.4692	0.421	10	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:	C[5](C[5]C[4,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[4,5]C)2(CH3){1|Si<4>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CH3){1|Si<4>,2|C<3>,2|C<4>}	127.4220	0.000	1	127.4220	0.000	1	127.4220	0.000	1	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	130.9220	0.157	2	130.5950	0.333	3	130.5950	0.333	3	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	129.9410	0.000	1	130.5950	0.333	3	130.5950	0.333	3	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	129.9200	0.000	1	129.9200	0.000	1	128.0215	0.831	21	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	128.7757	0.320	3	128.8546	0.063	5	128.0215	0.831	21	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	128.9730	0.000	2	128.8546	0.063	5	128.0215	0.831	21	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	129.1860	0.000	1	129.1860	0.000	1	128.0215	0.831	21	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<3>,2|C<3>,2|C<4>}	127.5355	0.392	2	127.3338	0.351	10	128.0215	0.831	21	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	127.2834	0.644	8	127.3338	0.351	10	128.0215	0.831	21	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|As<3>,1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>}	127.8860	0.000	2	127.8860	0.000	2	128.0215	0.831	21	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)2(CH3){1|Si<4>,1|C<4>,1|P<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	127.9810	0.000	2	127.9810	0.000	2	128.0215	0.831	21	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	124.4560	0.000	1	124.4560	0.000	1	126.1215	5.548	2	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]C)2(CH3){2|Se<2>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	127.7870	0.000	1	127.7870	0.000	1	126.1215	5.548	2	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	129.3260	0.000	1	129.3260	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|C<5>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<5>,1|H<1>}	128.5040	0.000	1	128.2690	0.110	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>}	128.0340	0.000	1	128.2690	0.110	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>}	128.4450	0.000	1	128.4450	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	129.3920	0.000	1	129.3920	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|O<1>,2|H<1>}	127.4515	0.026	2	127.4515	0.001	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	127.9160	0.000	1	127.9160	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>}	129.1750	0.000	1	129.1750	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	126.0580	0.000	1	126.0580	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CY)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Y<14>,1|C<5>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CY)(C[5]C[5]C)(CH3){1|C<4>}	125.8300	0.068	2	125.8300	0.005	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]SmC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Sm<14>,1|C<5>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]SmC)(C[5]C[5]C)(CH3){1|C<4>}	125.9055	0.185	2	125.9055	0.034	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC){1|O<1>,2|C<3>}	132.9240	0.000	1	132.9240	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){1|O<1>}	130.5140	0.000	1	130.5140	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]PbC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pb<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]PbC)(C[5]C[5]C)(CH3){1|C<4>}	119.5765	0.373	2	119.5765	0.139	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|B<6>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	127.5366	0.720	8	127.5366	0.518	8	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	128.2800	0.000	2	128.2800	0.000	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	126.4285	0.940	4	127.4311	0.730	16	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	127.7652	0.517	12	127.4311	0.730	16	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Al<6>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CH3){2|C<4>}	127.3850	0.470	2	127.3850	0.220	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|As<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	127.1945	1.479	4	127.1945	2.187	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|As<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	128.0128	0.479	6	128.0128	0.229	6	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	126.9093	0.507	12	126.9093	0.257	12	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	127.7150	0.610	7	127.6349	0.306	9	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	127.3545	0.117	2	127.6349	0.306	9	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C){2|C<4>}	129.5710	0.000	1	129.5710	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|P<4>}	128.3900	0.000	1	127.3477	1.140	6	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	127.8910	0.277	3	127.3477	1.140	6	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<4>}	126.0115	0.046	2	127.3477	1.140	6	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|N<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	127.3830	0.549	2	127.3830	0.301	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|O<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	128.3605	0.526	4	128.3605	0.277	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	127.0367	0.908	4	127.5555	0.471	11	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	127.8519	0.300	7	127.5555	0.471	11	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]DyC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Dy<15>,1|C<5>,1|H<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]DyC)(C[5]C[5]C)(CH3){1|C<4>,1|H<2>}	124.2735	0.221	2	124.2735	0.049	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]DyH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Dy<15>,1|C<5>,1|H<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]DyH)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	126.9565	0.494	2	126.9565	0.244	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	127.1181	1.300	18	126.7741	1.760	37	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	126.3085	1.125	11	126.7741	1.760	37	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	126.6401	1.573	8	126.7741	1.760	37	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	126.5595	0.988	4	126.5595	0.976	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HgSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Hg<2>,1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HgSi)(C[5]C[5]C)(CH3){2|C<4>}	127.1570	0.617	22	127.1570	0.380	22	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	123.4658	1.006	6	124.2127	1.582	10	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	125.3330	0.522	4	124.2127	1.582	10	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|In<4>,1|Si<4>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	126.4145	0.686	4	126.4145	0.471	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ir<6>,1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	125.8520	0.000	1	126.5243	0.902	3	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ir<7>,1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	126.8605	1.061	2	126.5243	0.902	3	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]LuC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Lu<15>,1|C<5>,1|H<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]LuC)(C[5]C[5]C)(CH3){1|C<4>,1|H<2>}	124.4715	0.354	2	124.4715	0.126	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]LuH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Lu<15>,1|C<5>,1|H<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]LuH)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	125.8660	1.086	2	125.8660	1.180	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	127.9605	0.694	2	127.7232	0.312	33	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	127.8167	0.513	10	127.7232	0.312	33	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	127.3231	0.484	8	127.7232	0.312	33	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	127.8611	0.560	13	127.7232	0.312	33	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	127.9380	0.361	2	127.9380	0.130	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	127.7530	0.673	2	127.4218	0.309	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	127.0905	0.186	2	127.4218	0.309	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Sb<5>,1|Si<5>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	127.3900	0.000	2	127.3900	0.000	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Sb<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbH)(C[5]C[5]C)(CH3){2|C<4>}	126.8630	0.341	5	126.8630	0.117	5	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Sb<5>,1|Si<5>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbSi)(C[5]C[5]C)(CH3){2|C<4>}	123.5150	0.000	2	123.5150	0.000	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	127.8958	0.332	6	127.5544	0.950	16	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	127.3495	1.182	10	127.5544	0.950	16	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	127.4685	0.525	10	127.4685	0.276	10	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH){2|C<4>}	127.1384	0.537	11	127.1384	0.289	11	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	126.4846	0.938	21	126.3933	1.147	23	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Zn<5>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	125.4350	2.373	2	126.3933	1.147	23	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	127.9700	0.034	2	127.9700	0.001	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	127.1090	0.134	2	127.1090	0.018	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	127.3125	0.129	2	127.3125	0.017	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	127.5135	0.421	2	126.9895	0.571	13	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	126.3520	0.432	4	126.9895	0.571	13	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	127.2040	0.777	7	126.9895	0.571	13	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	128.2180	0.068	2	128.2180	0.005	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	127.9340	0.868	2	127.9340	0.754	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	127.8850	0.400	2	127.8850	0.160	2	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<5>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	127.6038	0.281	4	127.6038	0.079	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	127.9180	0.000	1	127.9180	0.000	1	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	127.2473	0.421	4	127.5139	0.118	14	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	127.3000	0.112	2	127.5139	0.118	14	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	127.6940	0.028	2	127.5139	0.118	14	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	127.7525	0.319	4	127.5139	0.118	14	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	127.6035	0.052	2	127.5139	0.118	14	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	127.7700	0.107	2	127.4853	0.142	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){1|Ir<6>,2|C<4>,2|N<3>}	127.2005	0.298	2	127.4853	0.142	4	127.1057	1.766	345	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N){2|C<4>}	128.4150	0.000	1	128.4150	0.000	1	128.4150	0.000	1	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Co2)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|Co<7>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]Co2)(C[5]C[5]C)(CH3){2|C<4>}	125.2190	0.409	2	125.2190	0.167	2	124.8290	0.306	9	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]RhC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Rh<8>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]RhC)(C[5]C[5]C)(CH3){2|C<4>}	124.4705	0.385	2	124.4705	0.149	2	124.8290	0.306	9	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5a]C[5]Pd)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5a]C[5]Pd)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	124.8385	0.721	4	124.8385	0.520	4	124.8290	0.306	9	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	124.7280	0.000	1	124.7280	0.000	1	124.8290	0.306	9	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:Si-4:	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]CC)(C[5]C[5]C)(SiC3)	C[5](C[5]P[5]Si)(C[5]C[5]C)(CH3){1|Si<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[5]CC)(C[5]C[5]C)(SiC3){1|Si<4>,1|C<4>}	125.3205	0.336	4	125.3205	0.113	4	125.3205	0.113	4	127.0321	2.100	407	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)	C[5](C[5]C[3,5]C[5])(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	130.7972	0.599	5	130.7972	0.359	5	130.7972	0.359	5	130.1668	3.922	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C-4:C[5]-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	131.4720	0.000	1	131.4720	0.000	1	131.4720	0.000	1	130.1668	3.922	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	129.9540	0.000	1	129.9540	0.000	1	130.4655	0.523	2	130.1668	3.922	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]2)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	130.9770	0.000	1	130.9770	0.000	1	130.4655	0.523	2	130.1668	3.922	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:1:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[3]-4:C[5]-3:	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[3]C[3]P[3]H)(C[5]C[5]C)	C[5](C[5]C[3]P[5])(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](P[5]C[6a]C[5]W)(C[3]C[3]P[3]H)(C[5]C[5]C){1|C<4>,1|W<6>,3|C<3>,3|H<1>}	125.1120	0.000	1	125.1120	0.000	1	125.1120	0.000	1	130.1668	3.922	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CHHO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CHHO){2|C<3>}	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	125.5125	4.905	2	125.5125	24.061	2	125.5125	24.061	2	129.0469	9.256	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>}	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	129.0469	9.256	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO){2|H<1>}	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	132.8780	0.000	1	132.8780	0.000	1	131.2267	1.102	7	129.0469	9.256	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO){1|C<4>}	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	131.1304	0.786	5	131.1304	0.617	5	131.2267	1.102	7	129.0469	9.256	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO)	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO){1|C<4>}	C(C[5]C[5]N[5])(OC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|H<1>}	130.0570	0.000	1	130.0570	0.000	1	131.2267	1.102	7	129.0469	9.256	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHO)	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHO){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(OH)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<3>}	127.6220	0.415	4	127.6220	0.172	4	127.6220	0.172	4	129.0469	9.256	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS)	C(C[5]C[5]N[5])(SC[6])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS){1|C<4>}	C(C[5]C[5]N[5])(SC[6])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<4>}	130.2960	0.000	1	130.2960	0.000	1	130.2435	0.375	4	129.0469	9.256	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS)	C(C[5]C[5]N[5])(SC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS){1|C<4>}	C(C[5]C[5]N[5])(SC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<4>}	130.2260	0.749	3	130.2260	0.561	3	130.2435	0.375	4	129.0469	9.256	18	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS)	C(C[5]C[5]N[5])(SC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS){2|H<1>}	C(C[5]C[5]N[5])(SC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	131.1255	0.426	2	131.1255	0.182	2	131.1255	0.182	2	131.1255	0.182	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CCHH)	C(C[5]C[5]2)(CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(C[5]C[5]2)(CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	124.8160	0.000	1	124.8160	0.000	1	124.8160	0.000	1	128.3550	14.244	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO)	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO){1|C<3>,3|H<1>}	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	127.9220	0.000	1	127.9220	0.000	1	127.9220	0.000	1	128.3550	14.244	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO)	C(C[5]N[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]C)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO){2|C<3>,2|O<1>,3|H<1>}	C(C[5]N[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]C)(H){1|S<4>,2|C<3>,2|H<1>}	132.3270	0.000	1	132.3270	0.000	1	132.3270	0.000	1	128.3550	14.244	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)2(CCHH)	C(C[5]C[5]2)(CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(C[5]C[5]2)(CC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	127.0710	0.000	1	127.0710	0.000	1	127.0710	0.000	1	127.0710	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO){1|H<1>,1|O<1>}	129.5010	0.000	1	129.5010	0.000	1	129.5010	0.000	1	129.5010	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH)	C(C[5]C[5,6]C[5])(COO)(H)2	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(COO)(H)2	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|H<1>,2|C<4>}	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	129.1630	0.000	1	129.1630	0.000	1	129.1630	0.000	1	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[5]N[5])(CNO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|N<2>}	C(C[5]C[5]N[5])(CNO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<2>}	129.7370	0.000	1	129.7370	0.000	1	129.0800	0.863	2	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CCHH){1|N<2>}	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|N<2>}	128.4230	0.000	1	128.4230	0.000	1	129.0800	0.863	2	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH)	C(C[5]N[5,6]C[5])(COO)(H)2	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(C[5]N[5,6]C[5])(COO)(H)2	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H){1|C<4>,1|N<2>}	127.1940	0.000	1	127.1940	0.000	1	127.1940	0.000	1	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CCHH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Ni)(C[5]S[5]H)(CCHH){1|N<3>}	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Ni<5>,1|N<3>}	125.2730	0.000	1	125.2730	0.000	1	125.2585	0.000	2	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Zn)(C[5]S[5]H)(CCHH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Zn)(C[5]S[5]H)(CCHH){1|N<3>}	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Zn<5>,1|N<3>}	125.2440	0.000	1	125.2440	0.000	1	125.2585	0.000	2	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-3:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Re)(C[5]S[5]H)(CHHS)	C(C[5]C[5]N[5])(SReC)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Re)(C[5]S[5]H)(CHHS){1|C<3>}	C(C[5]C[5]N[5])(SReC)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Re<6>,1|C<3>}	131.7125	3.318	2	131.7125	11.012	2	131.7125	11.012	2	126.7085	21.779	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]C)(O){1|H<1>,2|O<2>,3|C<4>}	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6,6]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6,6]C)(N[5]C[5,3x6]C)(O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6,6]C)(N[5]C[5,3x6]C)(O){1|C<4>,2|C<3>}	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O){1|C<4>,2|O<2>}	121.0103	0.149	3	121.0103	0.022	3	121.0103	0.022	3	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:F-1:F-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF)	C(C[5]C[5]2)(COO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF){4|C<3>}	C(C[5]C[5]2)(COO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	C(C[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl){1|C<4>,1|O<1>}	130.9920	0.000	1	130.9920	0.000	1	130.9920	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	124.4150	0.000	1	124.4150	0.000	1	124.4150	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	C(C[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|Cl<1>,1|O<1>}	122.6410	0.000	1	122.6410	0.000	1	122.6410	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH)	C(C[5]C[5]2)(CSS)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CSS)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	128.8960	0.000	1	128.8960	0.000	1	128.8960	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)2(H){2|C<3>}	125.5948	0.815	4	125.5948	0.665	4	125.5948	0.665	4	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	122.4030	0.000	1	122.4030	0.000	1	122.4030	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	127.8920	0.000	1	127.8920	0.000	1	127.8920	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(O)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(O){1|N<3>,2|H<1>}	119.2520	0.000	1	119.2520	0.000	1	119.2520	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	118.5940	0.453	2	119.0273	0.666	3	119.0273	0.666	3	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	119.8940	0.000	1	119.0273	0.666	3	119.0273	0.666	3	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	130.7140	0.000	1	130.7140	0.000	1	130.7140	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH)	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH){1|C<4>}	C(C[5]C[5]N[5])2(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	132.2945	0.350	2	132.2945	0.123	2	132.2945	0.123	2	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H){1|Fe<10>,3|C<4>}	130.6310	0.000	1	130.6310	0.000	1	130.6310	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	C(C[5]C[5]N[5])(NHS)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NHS)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	129.4070	0.000	1	129.4070	0.000	1	129.4070	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	C(C[5]C[5]N[5])(NCH)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<3>}	C(C[5]C[5]N[5])(NCH)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	130.3960	0.000	1	130.3960	0.000	1	130.3960	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH){1|C<3>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	130.5000	0.396	2	130.5000	0.157	2	130.5000	0.157	2	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CCO)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CCO)(H)2	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	127.4000	0.000	1	127.4000	0.000	1	127.4000	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|H<1>}	124.2830	0.000	1	124.2830	0.000	1	126.3226	3.361	5	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]N[5]C)2(H){1|Co<4>,1|H<1>}	124.9580	0.000	1	124.9580	0.000	1	126.3226	3.361	5	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|H<1>}	126.1970	0.000	1	126.1970	0.000	1	126.3226	3.361	5	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	128.0875	1.084	2	128.0875	1.175	2	126.3226	3.361	5	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NNiC)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHHN){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(NNiC)(H)2	C[5](C[5]N[5]C)2(H){2|Ni<4>}	140.8210	0.000	1	140.8210	0.000	1	140.8210	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NIrC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CHHN){3|C<3>}	C(C[5]C[5]N[5])(NIrC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){3|C<3>}	131.7880	0.000	1	131.7880	0.000	1	131.7880	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H){2|Ni<4>}	128.0339	1.017	8	127.8073	1.441	12	127.6117	2.710	25	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<5>,1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|Ni<6>}	126.0035	0.291	2	127.8073	1.441	12	127.6117	2.710	25	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<6>,1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|Ni<6>}	128.7050	0.071	2	127.8073	1.441	12	127.6117	2.710	25	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H){2|Pd<4>}	126.3116	1.632	8	126.3116	2.664	8	127.6117	2.710	25	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|Rh<8>,1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H){2|Rh<8>}	128.6523	0.588	3	128.6523	0.346	3	127.6117	2.710	25	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|Ru<6>,1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)2(H){2|Ru<6>}	130.0770	0.684	2	130.0770	0.469	2	127.6117	2.710	25	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<8>}	132.7235	1.189	2	132.7235	1.413	2	131.7251	2.687	13	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<4>}	133.1540	0.000	1	130.9090	10.080	2	131.7251	2.687	13	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<6>}	128.6640	0.000	1	130.9090	10.080	2	131.7251	2.687	13	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<6>}	131.8994	0.437	5	132.1061	0.424	7	131.7251	2.687	13	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<8>}	132.6230	1.015	2	132.1061	0.424	7	131.7251	2.687	13	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<4>}	132.3620	0.000	1	130.2090	9.271	2	131.7251	2.687	13	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<6>}	128.0560	0.000	1	130.2090	9.271	2	131.7251	2.687	13	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<3>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ir<8>,2|C<3>}	131.1530	0.000	1	131.1530	0.000	1	131.2565	0.021	2	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<3>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Rh<8>,2|C<3>}	131.3600	0.000	1	131.3600	0.000	1	131.2565	0.021	2	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CN[6]HH)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CN[6]HH){1|Ir<5>,1|H<1>}	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|Ir<5>}	128.7322	2.251	4	128.7322	5.066	4	128.7322	5.066	4	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C(C[5]C[5]N[5])(SPdC)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(SPdC)(H)2	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	133.1227	1.439	4	133.1227	2.070	4	133.1227	2.070	4	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHS)	C(C[5]C[5]N[5])(SFe2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHS){1|C<4>}	C(C[5]C[5]N[5])(SFe2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<5>}	133.1790	0.000	1	133.1790	0.000	1	133.4814	0.142	5	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS)	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS){1|C<4>}	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	133.6870	0.000	1	133.6870	0.000	1	133.4814	0.142	5	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS)	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS){1|C<4>}	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	133.5137	0.465	3	133.5137	0.216	3	133.4814	0.142	5	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS)	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS){1|C<3>}	C(C[5]C[5]N[5])(SC[6a]Pd)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	133.6265	1.122	2	133.6265	1.259	2	133.3120	0.926	3	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS)	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS){1|C<3>}	C(C[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<9>,2|C<3>}	132.6830	0.000	1	132.6830	0.000	1	133.3120	0.926	3	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:Se-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CSeHH)	C(C[5]C[5]N[5])(SeC[6a]Ir)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CSeHH){1|C<4>}	C(C[5]C[5]N[5])(SeC[6a]Ir)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<8>}	132.9430	0.000	1	132.9430	0.000	1	132.6347	0.744	6	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:Se-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH)	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH){1|C<4>}	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	131.1180	0.000	1	131.1180	0.000	1	132.6347	0.744	6	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:Se-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CSeHH)	C(C[5]C[5]N[5])(SeC[6a]Rh)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CSeHH){1|C<4>}	C(C[5]C[5]N[5])(SeC[6a]Rh)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<8>}	132.3930	0.000	1	132.3930	0.000	1	132.6347	0.744	6	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:Se-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH)	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH){1|C<4>}	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	133.1180	0.532	3	133.1180	0.283	3	132.6347	0.744	6	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH)	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH){1|C<3>}	C(C[5]C[5]N[5])(SeC[6a]Pd)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	132.5485	0.648	2	132.5485	0.420	2	132.1713	0.637	3	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH)	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH){1|C<3>}	C(C[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<9>,2|C<3>}	131.4170	0.000	1	131.4170	0.000	1	132.1713	0.637	3	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ni<6>}	125.6830	1.749	2	125.6830	3.060	2	128.1710	9.443	4	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	130.6590	0.713	2	130.6590	0.508	2	128.1710	9.443	4	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5a]HH){1|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	125.8700	0.000	1	125.8700	0.000	1	125.8700	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	S[5]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](S[5]C[5]Ru)(C[5]C[5]H)(CHHN)	C(C[5]C[5]S[5])(NRuC)(H)2	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](S[5]C[5]Ru)(C[5]C[5]H)(CHHN){2|H<1>}	C(C[5]C[5]S[5])(NRuC)(H)2	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|Ru<6>,1|H<1>}	132.6500	0.000	1	132.6500	0.000	1	132.6500	0.000	1	128.8249	17.311	107	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN)	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(OC){2|C<3>}	127.2800	0.000	1	127.2800	0.000	1	127.2800	0.000	1	127.7913	4.217	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|C<4>,1|H<1>}	128.0265	0.753	2	128.0265	0.567	2	128.0265	0.567	2	127.7913	4.217	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CSS)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CSS)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){2|C<3>,2|C<4>}	125.9143	0.228	3	126.2548	0.498	4	126.2548	0.498	4	127.7913	4.217	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CSS)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CSS)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){1|C<4>,1|H<1>,2|C<3>}	127.2760	0.000	1	126.2548	0.498	4	126.2548	0.498	4	127.7913	4.217	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH){5|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){2|H<1>,4|C<3>}	129.7190	0.000	1	129.7190	0.000	1	129.7190	0.000	1	127.7913	4.217	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5])	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH){2|C<3>}	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	132.0510	0.000	1	132.0510	0.000	1	132.0510	0.000	1	127.7913	4.217	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H){2|C<3>}	127.1290	0.000	1	127.1290	0.000	1	127.1290	0.000	1	128.0620	3.058	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:F-1:F-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2)(F)2	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2{6|C<3>}	125.4430	0.151	2	125.4430	0.023	2	125.4430	0.023	2	128.0620	3.058	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF)	C(C[5]C[5]2)(COO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF){4|C<3>}	C(C[5]C[5]2)(COO)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	128.9790	0.000	1	128.9790	0.000	1	128.9790	0.000	1	128.0620	3.058	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]C)2(CCH){2|H<1>}	127.3020	0.000	1	127.3020	0.000	1	127.3020	0.000	1	128.0620	3.058	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|C<4>}	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	126.9100	0.809	4	126.9100	0.654	4	126.9100	0.654	4	128.0620	3.058	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	129.1720	0.000	1	129.1720	0.000	1	129.1720	0.000	1	128.0620	3.058	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH){1|B<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H){1|Co<6>,1|B<4>,2|C<3>,2|H<1>}	128.9485	0.648	6	128.9485	0.420	6	128.9485	0.420	6	128.0620	3.058	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	N[5,6]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH)	C(C[5]N[5,6]C[5])(CNO)(H)2	C[5](C[5]N[5]S[5])(N[5]C[5,6]Re)(C[5]N[5,6]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[5]N[5,6]C[5])(CNO)(H)2	C[5](C[5]N[5]S[5])(N[5]C[5,6]Re)(C[5]N[5,6]C){4|C<3>}	132.2550	0.000	1	132.2550	0.000	1	132.2550	0.000	1	128.0620	3.058	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)	C(C[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C)2(SiC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH){1|C<2>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C)2(SiC[6a]3){2|C<3>}	128.6385	0.921	2	128.6385	0.849	2	128.6385	0.849	2	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH){1|H<1>,3|C<3>}	126.9462	0.573	4	126.9462	0.328	4	126.9462	0.328	4	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	125.6990	0.000	1	125.6990	0.000	1	127.4440	1.664	7	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	128.7203	0.429	3	128.7203	0.184	3	127.4440	1.664	7	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|O<2>}	126.6490	0.000	1	126.7493	0.119	3	127.4440	1.664	7	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CSS)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|O<2>}	126.7995	0.472	2	126.7493	0.119	3	127.4440	1.664	7	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	125.8620	2.007	6	126.9454	1.014	60	126.9454	1.014	60	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(CC[5]HH){2|H<1>}	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	127.0657	0.775	54	126.9454	1.014	60	126.9454	1.014	60	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	C(C[5]C[5]2)2(H)2	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	129.0748	2.056	6	129.0748	4.227	6	129.0748	4.227	6	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CHHN)	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)2(CHHN){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	124.7920	0.000	1	124.7920	0.000	1	124.7920	0.000	1	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5a]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(CC[5a]HH){1|Zn<4>,1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	126.6010	0.000	1	126.9727	0.791	15	126.9727	0.791	15	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5a]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	C[5](C[5]N[5]C)2(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	126.9993	0.917	14	126.9727	0.791	15	126.9727	0.791	15	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[5a]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[5a]HH){1|Zn<4>,1|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](N[5]N[5]Zn)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	127.6100	0.000	1	127.6100	0.000	1	127.6100	0.000	1	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH){1|C<3>,1|O<1>}	133.0865	0.343	2	133.0865	0.118	2	126.5508	5.239	22	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CH3){2|C<4>}	126.0900	0.710	2	126.0900	0.504	2	126.5508	5.239	22	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	125.8489	0.987	16	125.8489	0.973	16	126.5508	5.239	22	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)2(CH3){2|C<4>}	126.0905	0.795	2	126.0905	0.633	2	126.5508	5.239	22	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(CC[6a]HH){1|Co<6>,1|B<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	127.2033	0.865	6	127.1296	0.484	9	127.1296	0.484	9	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(CC[6a]HH){1|Fe<6>,1|B<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	126.9820	0.124	3	127.1296	0.484	9	127.1296	0.484	9	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[6a]HH){2|Pd<4>}	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	C[5](N[5]N[5]Pd)(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	127.7175	5.245	4	127.7175	27.505	4	127.3348	7.246	13	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[6a]HH){1|Co<6>,1|B<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](N[5]N[5]Co)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	127.1092	0.821	6	127.1092	0.675	6	127.3348	7.246	13	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CC[6a]HH){1|Fe<6>,1|B<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	127.2760	0.278	3	127.2760	0.078	3	127.3348	7.246	13	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|S<1>,3|C<4>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|C<4>,1|S<1>}	130.5290	0.000	1	130.5290	0.000	1	130.5290	0.000	1	127.0886	2.572	141	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,5a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH)	C(C[5]C[5,5a]C[5])(COO)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]C)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5a]C[5])(COO)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]C)(H){1|C<3>,1|N<3>}	126.2480	0.000	1	126.2480	0.000	1	126.2480	0.000	1	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	128.1980	0.000	1	128.1980	0.000	1	128.1980	0.000	1	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	128.2240	0.000	1	128.2240	0.000	1	128.2240	0.000	1	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN)	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(NCS)(H)2	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	127.0400	0.000	1	127.0400	0.000	1	127.0400	0.000	1	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:F-1:F-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF)	C(C[5]C[5]2)(CNO)(F)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(CNO)(F)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	134.4620	0.000	1	134.4620	0.000	1	134.4620	0.000	1	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){4|H<1>}	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|N<3>,2|H<1>}	124.1420	0.000	1	124.1420	0.000	1	123.7235	1.430	4	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CCHH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	123.5840	1.424	3	123.5840	2.028	3	123.7235	1.430	4	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	125.0475	0.213	2	125.0475	0.045	2	125.0475	0.045	2	125.8489	12.170	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)2(CCHH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC){1|O<1>,2|H<1>}	127.9910	1.284	3	127.9910	1.650	3	127.9910	1.650	3	127.6780	1.034	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	127.2085	0.322	2	127.2085	0.104	2	127.2085	0.104	2	127.6780	1.034	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|P<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN){2|C<3>}	126.8460	0.000	1	126.8460	0.000	1	126.8460	0.000	1	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|F<1>,4|C<3>}	127.5540	0.170	2	127.5540	0.029	2	127.5540	0.029	2	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:F-1:F-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF)	C(C[5]C[5]2)(CNO)(F)2	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(CNO)(F)2	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	128.8510	0.000	1	128.8510	0.000	1	128.8510	0.000	1	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){4|H<1>}	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>,2|H<1>}	126.1330	0.000	1	126.1330	0.000	1	126.1330	0.000	1	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CHHN)	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC)	C[5](C[5]C[5]C)2(CHHN){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC){1|C<4>,1|O<1>}	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>}	123.2410	0.000	1	123.2410	0.000	1	127.6390	38.685	2	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO){1|C<4>,1|O<1>}	132.0370	0.000	1	132.0370	0.000	1	127.6390	38.685	2	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	131.2880	0.000	1	131.2880	0.000	1	131.2880	0.000	1	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO){5|C<3>}	127.1730	0.000	1	127.1730	0.000	1	127.1730	0.000	1	127.4621	7.774	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3){2|C<3>}	127.1580	0.000	1	127.1580	0.000	1	127.1580	0.000	1	128.5825	4.058	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH){2|C<3>}	130.0070	0.000	1	130.0070	0.000	1	130.0070	0.000	1	128.5825	4.058	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<2>,2|H<1>}	122.2580	0.000	1	122.2580	0.000	1	122.2580	0.000	1	122.2580	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	N[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(O){1|C<4>,3|C<3>}	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	124.5033	8.468	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO){2|C<4>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	126.1780	0.330	2	126.1780	0.109	2	126.1780	0.109	2	124.5033	8.468	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5,5a]-3:C[5]-3:C-4:	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	129.6250	0.000	1	129.6250	0.000	1	129.6250	0.000	1	129.6250	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	127.8320	0.000	1	127.7940	0.003	2	127.7940	0.003	2	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	127.7560	0.000	1	127.7940	0.003	2	127.7940	0.003	2	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){1|C<3>,2|C<4>,3|H<1>}	122.7460	0.000	1	122.9200	0.061	2	122.9200	0.061	2	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5,6]O)(CC[6a]HO){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(O){3|C<4>,3|H<1>}	123.0940	0.000	1	122.9200	0.061	2	122.9200	0.061	2	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	129.7093	1.203	3	129.7093	1.447	3	129.7798	0.839	5	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	130.3460	0.000	1	130.3460	0.000	1	129.7798	0.839	5	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]HO){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>}	129.4250	0.000	1	129.4250	0.000	1	129.7798	0.839	5	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	121.8557	0.419	3	121.8557	0.176	3	121.6573	0.275	4	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HO){4|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	121.0620	0.000	1	121.0620	0.000	1	121.6573	0.275	4	125.9197	14.703	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H){2|C<4>}	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|C<4>}	122.9890	0.000	1	122.9890	0.000	1	121.9505	2.157	2	121.9505	2.157	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H){2|H<1>}	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|N<3>,2|H<1>}	120.9120	0.000	1	120.9120	0.000	1	121.9505	2.157	2	121.9505	2.157	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H){2|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	131.6053	2.534	6	131.6053	6.420	6	131.6053	6.420	6	129.6907	5.589	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<5>,1|B<4>}	128.7801	1.535	9	128.4628	2.416	12	128.5381	1.948	15	129.6907	5.589	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|B<4>}	127.5110	1.432	3	128.4628	2.416	12	128.5381	1.948	15	129.6907	5.589	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]2H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]2H){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|B<4>}	128.8393	0.417	3	128.8393	0.174	3	128.5381	1.948	15	129.6907	5.589	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CN[5]2H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CN[5]2H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	132.5905	2.205	2	132.5905	4.864	2	132.5905	4.864	2	129.6907	5.589	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:2:	C[5]-3:S[5]-3:C-4:	C[5]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	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>}	132.3930	0.000	1	132.3930	0.000	1	132.3930	0.000	1	132.3930	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3)	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	128.5990	0.000	1	128.5990	0.000	1	128.5990	0.000	1	128.5990	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:C-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN)	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN){4|H<1>}	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|N<3>,2|H<1>}	122.2730	0.000	1	122.2730	0.000	1	122.2730	0.000	1	121.7570	0.533	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	121.7570	0.533	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH)	C(C[5]C[5,6a]C[5])(COO)2(H)	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH){1|P<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(COO)2(H)	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC){1|O<1>,2|C<3>,2|O<2>}	125.2460	0.000	1	125.2460	0.000	1	125.2460	0.000	1	128.6354	6.331	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN)	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]N)(C[5]C[5]O)(CCHN){4|H<1>}	C(C[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>,2|H<1>}	127.7260	0.000	1	127.7260	0.000	1	127.7260	0.000	1	128.6354	6.331	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]CH){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	129.2850	0.000	1	129.2850	0.000	1	129.2850	0.000	1	128.6354	6.331	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2H){2|C<4>}	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC){1|O<1>}	128.7380	0.000	1	128.7380	0.000	1	128.7380	0.000	1	128.6354	6.331	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H)	C[5](C[5]C[5]N)(C[5]O[5]O)(CC[6a]2H){2|H<1>}	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>}	132.1820	0.000	1	132.1820	0.000	1	132.1820	0.000	1	128.6354	6.331	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-3:C-3:O-2:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO)	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	127.7050	0.000	1	127.7050	0.000	1	127.7050	0.000	1	127.7050	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-3:O-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){3|H<1>}	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	125.5552	36.116	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:2:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[5](C[5]C[5]C)(C[5]P[5]H)(H)	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[5](C[5]C[5]C)(C[5]P[5]H)(H){1|H<1>,2|C<4>}	117.6760	0.000	1	117.6760	0.000	1	117.6760	0.000	1	125.5552	36.116	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:2:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O)	C(C[5]C[5]N[5])3(OH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O){2|C<4>}	C(C[5]C[5]N[5])3(OH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	129.8830	0.266	3	129.8830	0.071	3	129.8830	0.071	3	125.5552	36.116	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	130.1310	0.000	1	130.1310	0.000	1	130.1310	0.000	1	129.0695	2.254	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:O-2:	P[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[5](P[5]C[5]C[6]2)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]P[5]H)(CC[6a]2O){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)2(C[5]C[5]2)(OH)	C[5](P[5]C[5]C[6]2)(C[5]C[5]C)(H){4|C<4>,4|H<1>}	128.0080	0.000	1	128.0080	0.000	1	128.0080	0.000	1	129.0695	2.254	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){2|C<3>}	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	125.2050	1.000	4	125.2050	0.999	4	125.2050	0.999	4	123.9357	5.731	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CC[6a]CH){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	123.9357	5.731	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){3|H<1>}	121.2750	0.000	1	121.2750	0.000	1	121.2750	0.000	1	123.9357	5.731	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	125.4610	0.000	1	125.4610	0.000	1	125.4610	0.000	1	123.9357	5.731	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(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>}	125.8040	0.000	1	125.8040	0.000	1	125.8040	0.000	1	125.8040	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	C[5]-3:P[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]C[5]C)(P[5]C[5]C)(CC[6a]CH){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<3>,1|C<4>}	124.1630	0.000	1	124.1630	0.000	1	124.1630	0.000	1	124.1630	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	130.7850	0.000	1	130.7850	0.000	1	130.7558	0.301	4	128.7896	19.554	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	130.0840	0.000	1	130.0840	0.000	1	130.7558	0.301	4	128.7896	19.554	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]CH){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	131.4260	0.000	1	131.4260	0.000	1	130.7558	0.301	4	128.7896	19.554	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(CC[6a]CH){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	130.7280	0.000	1	130.7280	0.000	1	130.7558	0.301	4	128.7896	19.554	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]CH){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){3|H<1>}	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	128.7896	19.554	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:2:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C-4:O-2:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	129.7270	0.000	1	129.7270	0.000	1	129.7270	0.000	1	129.7270	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-3:C-4:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CCCN)	C(C[5]C[5]N[5])(NPdC)(CH3)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CCCN){1|C<3>}	C(C[5]C[5]N[5])(NPdC)(CH3)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	131.8960	1.684	2	131.8960	2.837	2	131.8960	2.837	2	128.6028	11.319	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:3:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC){1|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Al<5>,1|C<4>,1|H<1>}	126.4073	1.773	3	126.4073	3.145	3	126.4073	3.145	3	128.6028	11.319	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	2:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	O[5]-2:C[5]-3:N-2:	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH)	C(C[5]C[5]2)(CHHO)(H)2	C[5](O[5]C[5,5])(C[5]C[5]C)(NH)	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH){1|C<4>,1|O<2>}	C(C[5]C[5]2)(CHHO)(H)2	C[5](O[5]C[5,5])(C[5]C[5]C)(NH){1|C<4>,1|H<1>,1|O<2>}	122.1840	0.000	1	122.1840	0.000	1	122.1840	0.000	1	122.4440	0.135	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	2:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	O[5]-2:C[5]-3:O-2:	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](O[5]B[5,6,6])(C[5]C[5]C)(OC)	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH){2|C<3>,2|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](O[5]B[5,6,6])(C[5]C[5]C)(OC){1|C<3>,2|C<4>}	122.7040	0.000	1	122.7040	0.000	1	122.7040	0.000	1	122.4440	0.135	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	2:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	O[5]-2:C[5]-3:C-3:	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2)	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH){1|C<4>,1|O<2>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2){1|C<4>,1|O<1>,1|O<2>}	132.1960	1.185	2	132.7448	1.016	4	132.7448	1.016	4	132.7448	1.016	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	2:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	O[5]-2:C[5]-3:C-3:	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2)	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH){2|C<4>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2){1|O<1>,2|C<4>}	133.2935	0.663	2	132.7448	1.016	4	132.7448	1.016	4	132.7448	1.016	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	122.5860	0.000	1	122.5860	0.000	1	126.0390	6.462	4	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCHN)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	128.0580	0.000	1	128.0580	0.000	1	126.0390	6.462	4	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	127.8420	0.000	1	127.8420	0.000	1	126.0390	6.462	4	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	125.6700	0.000	1	125.6700	0.000	1	126.0390	6.462	4	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6]-4:H-1:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|N<3>,2|C<3>}	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	120.9970	0.000	1	120.9970	0.000	1	120.9970	0.000	1	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	121.6482	0.476	6	121.6482	0.226	6	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	120.0370	0.583	2	120.0370	0.339	2	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	119.9303	1.373	4	119.9303	1.886	4	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[5]CH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	C(C[5]C[5]2)(CC[5]CH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	120.1568	0.898	4	120.1568	0.806	4	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	121.3332	2.429	9	121.3332	5.898	9	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	123.1130	0.000	1	123.1130	0.000	1	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[3]HH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CC[3]HH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	121.8340	0.000	1	121.8340	0.000	1	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){2|H<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){3|H<1>}	120.7943	0.967	3	120.7943	0.936	3	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,1|I<1>}	122.5640	0.000	1	122.5640	0.000	1	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	119.7160	0.000	1	119.7160	0.000	1	120.9975	2.606	32	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(Se[5]C[5])(H)	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH){1|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(Se[5]C[5])(H){1|C<3>,1|H<1>}	124.2245	1.794	2	124.2245	3.218	2	124.2245	3.218	2	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:Br-1:	C[5](C[5]S[5]Br)(N[5]C[5]Re)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(Br)	C[5](C[5]S[5]Br)(N[5]C[5]Re)(CCHH){1|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(Br){1|Re<6>,1|C<3>}	126.2180	0.921	2	126.2180	0.848	2	126.2180	0.848	2	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|H<1>}	127.0250	0.000	1	127.0250	0.000	1	127.0250	0.000	1	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Re)(C[5]S[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Re)(C[5]S[5]H)(CCHH){1|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Re<6>,1|C<3>}	124.2805	3.880	2	124.2805	15.054	2	124.2805	15.054	2	122.1260	6.934	44	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:N-2:	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(NC)	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH){1|O<1>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(NC){1|C<4>,1|O<1>}	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CCH)	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CCH){1|Br<1>,1|C<3>}	126.4920	0.000	1	126.4920	0.000	1	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CCC)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CCC){1|C<3>,1|C<4>}	130.1810	1.496	2	130.1810	2.239	2	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CCH){1|C<3>,1|C<4>}	125.0860	0.000	1	125.0860	0.000	1	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	125.0812	1.541	26	125.0812	2.376	26	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]N)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]N){1|C<3>,1|C<4>}	130.2175	1.015	2	130.2175	1.030	2	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	125.5296	0.820	25	125.4947	0.913	28	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){2|C<3>}	127.5440	0.000	1	125.4947	0.913	28	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){2|C<4>}	124.0350	0.081	2	125.4947	0.913	28	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]N)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]N){1|C<3>,1|C<4>}	130.8980	0.671	6	130.8980	0.451	6	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]S)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]S){1|C<3>,1|C<4>}	127.9920	1.287	12	127.9920	1.656	12	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[6]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[6]H){1|C<3>,1|C<4>}	126.5330	0.000	1	126.5330	0.000	1	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	124.2900	0.000	1	124.2900	0.000	1	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CN[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CN[5a]H){1|C<3>,1|C<4>}	125.5660	0.000	1	125.5660	0.000	1	126.3706	4.904	81	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:N-3:	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH)	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(NCH)	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH){2|H<1>}	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(NCH){1|O<1>,2|H<1>}	127.3190	0.000	1	127.3190	0.000	1	127.3190	0.000	1	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]O[5]C)(N[5]C[5]O)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(O[5]C[5])(CC[6a]2)	C[5](C[5]O[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(O[5]C[5])(CC[6a]2){1|C<3>,1|C<4>,1|O<1>}	133.0250	0.000	1	133.0250	0.000	1	133.0250	0.000	1	126.4622	5.327	83	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CC3){1|C<3>,1|C<4>}	128.2305	0.011	2	128.2305	0.000	2	128.2305	0.000	2	124.7534	2.268	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:P[5]-2:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(P[5]C[5])(CCHH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(P[5]C[5])(CCHH){2|C<4>}	123.6704	0.491	8	123.6704	0.241	8	123.6704	0.241	8	124.7534	2.268	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH)	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH){1|C<4>}	125.0280	0.511	3	125.0280	0.261	3	125.0280	0.261	3	124.7534	2.268	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:P[5]-2:C-4:	C[5](N[5]N[5]Co)(C[5]P[5]C)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	C[5](N[5]N[5]Co)(C[5]P[5]C)(CCHH){1|Si<4>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Co<4>,1|Si<4>}	124.8765	0.039	2	124.8765	0.002	2	124.9748	0.028	4	124.7534	2.268	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:P[5]-2:C-4:	C[5](N[5]N[5]Ni)(C[5]P[5]C)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	C[5](N[5]N[5]Ni)(C[5]P[5]C)(CCHH){1|H<1>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Ni<4>,1|H<1>}	125.0730	0.206	2	125.0730	0.043	2	124.9748	0.028	4	124.7534	2.268	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	120.9600	0.000	1	120.9600	0.000	1	121.4370	0.455	2	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH){4|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	121.9140	0.000	1	121.9140	0.000	1	121.4370	0.455	2	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(Br)	C[5](C[5]C[5]Br)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(Br){1|N<3>,2|C<3>}	128.4290	0.000	1	128.4290	0.000	1	128.4290	0.000	1	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH){5|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H){5|C<3>}	124.1597	0.585	3	124.1597	0.342	3	123.8256	2.530	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH){3|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H){1|N<3>,4|C<3>}	123.3560	0.000	1	123.3560	0.000	1	123.8256	2.530	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	121.4030	0.000	1	121.4030	0.000	1	123.8256	2.530	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]C)2(H){2|C<3>}	122.9765	0.443	2	122.9765	0.197	2	123.8256	2.530	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CCHH)	C(C[5]C[5]2)(CHHP)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CCHH){2|H<1>}	C(C[5]C[5]2)(CHHP)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	126.3980	0.799	2	126.3980	0.638	2	123.8256	2.530	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	124.3030	0.000	1	124.3030	0.000	1	123.8256	2.530	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5a]Se[5])(C[5]C[5]C)(H)	C[5](C[5]Se[5]H)(C[5]C[5]H)(CCHH){1|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5a]Se[5])(C[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>}	122.8085	1.708	2	122.8085	2.916	2	123.8256	2.530	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	120.0460	0.000	1	120.0460	0.000	1	121.1091	0.203	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	121.0650	0.000	1	121.0650	0.000	1	121.1091	0.203	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	121.3577	0.212	3	121.1943	0.135	13	121.1091	0.203	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	121.0751	0.416	8	121.1943	0.135	13	121.1091	0.203	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){3|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,2|H<1>}	121.4260	0.116	2	121.1943	0.135	13	121.1091	0.203	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){1|B<3>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5,6a]C[5,6a]B[6a])(C[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>}	122.0520	0.000	1	122.0520	0.000	1	121.3395	1.015	2	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	120.6270	0.000	1	120.6270	0.000	1	121.3395	1.015	2	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Co<4>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	121.9190	0.000	1	121.9190	0.000	1	121.8986	0.456	11	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Cu)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Cu<4>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Cu)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	122.4275	0.370	4	122.4275	0.137	4	121.8986	0.456	11	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ni)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Ni<4>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ni)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	121.2947	0.546	4	121.2947	0.298	4	121.8986	0.456	11	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Pd)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Pd<4>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Pd)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	122.0385	0.797	2	122.0385	0.635	2	121.8986	0.456	11	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CHHN)	C(C[5]C[5]2)(NC3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(CHHN){2|H<1>}	C(C[5]C[5]2)(NC3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|H<1>}	125.0710	1.281	4	125.0710	1.640	4	125.0710	1.640	4	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCHH){1|Sr<6>,1|C<4>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(H){1|Sr<6>,1|B<4>}	128.3267	0.315	6	128.3267	0.099	6	129.2764	3.115	9	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCHH){1|Ru<9>,1|C<4>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<3>}	128.9320	0.000	1	128.9320	0.000	1	129.2764	3.115	9	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCHH){1|Eu<13>,1|C<3>}	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<3>}	132.2980	0.795	2	132.2980	0.632	2	129.2764	3.115	9	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|C<4>}	129.7752	0.539	4	129.7752	0.291	4	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	129.2810	0.000	1	129.4920	0.089	2	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|Ir<8>,1|C<4>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	129.7030	0.000	1	129.4920	0.089	2	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	125.3450	0.000	1	128.5305	20.295	2	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	131.7160	0.000	1	128.5305	20.295	2	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	131.1568	1.854	47	131.1568	3.439	47	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	130.0730	0.000	1	130.0730	0.000	1	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	131.4249	3.077	10	131.4249	9.467	10	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CN[6]CH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CN[6]CH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	131.4755	1.448	17	131.4755	2.097	17	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<4>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	131.5170	1.785	2	131.5170	3.185	2	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<4>}	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	132.2330	0.000	1	132.2330	0.000	1	131.0952	3.919	86	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){1|Cu<5>,1|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H){2|H<1>}	133.0290	0.000	1	133.0290	0.000	1	131.5415	4.425	2	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	130.0540	0.000	1	130.0540	0.000	1	131.5415	4.425	2	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	131.5920	0.000	1	131.5920	0.000	1	131.5920	0.000	1	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<5>,1|B<4>}	130.9283	2.147	3	131.7568	2.722	6	129.9920	3.717	24	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|B<4>}	132.5853	0.371	3	131.7568	2.722	6	129.9920	3.717	24	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	129.4193	1.162	3	130.5350	1.216	9	129.9920	3.717	24	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CC3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|B<4>}	131.0928	0.535	6	130.5350	1.216	9	129.9920	3.717	24	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	127.2375	0.032	2	127.2375	0.001	2	129.9920	3.717	24	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<3>}	125.7750	0.000	1	125.7750	0.000	1	129.9920	3.717	24	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sr)(C[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sr)(C[5]C[5]H)(CCHH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(H){1|Sr<6>,1|B<4>}	129.0337	0.684	6	129.0337	0.468	6	129.9920	3.717	24	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Co<6>,1|H<1>}	128.4400	0.000	1	128.4400	0.000	1	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Co<6>,1|H<1>}	128.7990	0.000	1	128.7990	0.000	1	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Cu<5>,1|H<1>}	128.9720	0.565	3	128.9720	0.319	3	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Cu<5>,1|H<1>}	130.5860	0.392	3	130.5860	0.154	3	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){1|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>}	128.5260	0.000	1	128.2855	0.334	4	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>,1|H<1>}	128.2053	0.680	3	128.2855	0.334	4	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<5>,1|H<1>}	127.9340	0.327	6	129.1298	1.844	25	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>,1|H<1>}	129.5075	1.342	19	129.1298	1.844	25	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<6>,1|H<1>}	127.0030	0.000	1	127.0030	0.000	1	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Mo<8>,1|H<1>}	127.0330	0.000	1	127.0330	0.000	1	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mo<6>,1|H<1>}	129.1385	0.880	2	129.1385	0.775	2	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<4>,1|H<1>}	131.1670	0.000	1	129.4923	2.514	3	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	128.6550	0.907	2	129.4923	2.514	3	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	128.7020	0.000	1	128.7020	0.000	1	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	131.3390	0.096	2	131.3390	0.009	2	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Re<6>,1|H<1>}	130.0545	1.647	2	130.0545	2.712	2	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Re<6>,1|H<1>}	126.7930	0.000	1	126.7930	0.000	1	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ru<9>,1|H<1>}	127.9170	0.000	1	127.9170	0.000	1	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Tc)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Tc)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CCHN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Tc<6>,1|H<1>}	126.8340	0.000	1	126.8340	0.000	1	129.0601	1.912	52	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H){1|Cu<5>,1|H<1>}	130.4917	0.524	8	130.4917	0.275	8	130.1047	0.793	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|Cu<4>,1|H<1>,2|C<3>}	128.3460	0.000	1	129.3305	1.067	4	130.1047	0.793	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	129.6587	0.977	3	129.3305	1.067	4	130.1047	0.793	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|Mn<5>,1|C<4>}	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	C[5](C[5]N[5]C)2(H){1|Mn<5>,1|Mn<8>}	132.3810	0.000	1	132.3920	0.000	2	132.3920	0.000	2	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|Mn<6>,1|C<4>}	C(C[5]C[5]N[5])(C[5]C[5]2Mn)(H)2	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|Mn<8>}	132.4030	0.000	1	132.3920	0.000	2	132.3920	0.000	2	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN){2|H<1>}	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|H<1>}	131.5935	0.111	2	131.5935	0.012	2	132.3961	1.495	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHHN){1|Co<5>,1|C<4>}	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]N[5]C)2(H){2|Co<5>}	133.5247	1.048	4	133.5247	1.099	4	132.3961	1.495	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|C<4>}	131.8030	1.315	2	132.3410	1.733	3	132.3961	1.495	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHHN){1|Cu<5>,1|H<1>}	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|Cu<5>}	133.4170	0.000	1	132.3410	1.733	3	132.3961	1.495	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHHN){1|Fe<6>,1|C<4>}	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)2(H){2|Fe<6>}	133.0740	0.000	1	133.0740	0.000	1	132.3961	1.495	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN){1|Mn<8>,1|C<4>}	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](C[5]N[5]C)2(H){1|Mn<5>,1|Mn<8>}	131.3370	0.000	1	130.8085	0.559	2	132.3961	1.495	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CHHN){1|Mn<8>,1|C<4>}	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|Mn<8>}	130.2800	0.000	1	130.8085	0.559	2	132.3961	1.495	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NRuCC)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHN){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(NRuCC)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	132.3137	0.917	3	132.3137	0.840	3	132.3961	1.495	15	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	131.4645	0.182	2	131.4645	0.033	2	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	131.6556	0.888	9	131.6556	0.789	9	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN){2|H<1>}	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<5>,1|H<1>}	133.3060	0.000	1	134.5805	3.249	2	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN){2|H<1>}	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>,1|H<1>}	135.8550	0.000	1	134.5805	3.249	2	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NNiCH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHHN){2|H<1>}	C(C[5]C[5]N[5])(NNiCH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	131.6450	0.000	1	131.6450	0.000	1	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Co<5>}	134.0865	0.554	6	135.0973	3.029	9	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Co<6>}	137.1190	1.467	3	135.0973	3.029	9	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Cu)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Cu<5>}	134.8873	1.159	3	134.8873	1.342	3	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	133.8286	0.696	9	133.8286	0.485	9	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NLiCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Li)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NLiCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Li<6>}	129.4840	0.000	1	129.4840	0.000	1	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NNiCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NNiCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ni<6>}	134.9315	1.131	2	134.9315	1.278	2	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NReCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Re)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NReCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	135.6140	0.000	1	135.6140	0.000	1	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NRuCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NRuCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<6>}	134.3247	0.382	3	134.3247	0.146	3	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<5>}	133.4480	0.000	1	132.1555	3.341	2	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<6>}	130.8630	0.000	1	132.1555	3.341	2	133.5426	3.487	44	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NCuCH)(H)2	C[5](N[5]C[5]Pd)(C[5]N[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN){1|Pd<4>,1|H<1>}	C(C[5]C[5]N[5])(NCuCH)(H)2	C[5](N[5]C[5]Pd)(C[5]N[5]C)(H){1|Cu<5>,1|H<1>}	134.8445	0.937	2	134.8445	0.878	2	134.3928	0.674	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<4>}	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<4>}	133.7910	0.242	2	133.7910	0.058	2	134.3928	0.674	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<3>}	C(C[5]C[5]N[5])(NCoCC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,2|C<3>}	134.0047	0.929	3	134.0047	0.864	3	134.3928	0.674	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN){1|C<3>}	C(C[5]C[5]N[5])(NFeCC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<6>,2|C<3>}	136.0670	0.000	1	136.0670	0.000	1	134.3928	0.674	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Mn)(C[5]N[5]H)(CHHN){1|C<3>}	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,2|C<3>}	134.5295	0.415	2	134.5295	0.172	2	134.3928	0.674	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN)	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN){1|C<3>}	C(C[5]C[5]N[5])(NZnCC)(H)2	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<6>,2|C<3>}	134.1510	0.177	2	134.1510	0.031	2	134.3928	0.674	12	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Ti)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ti)(C[5]C[5]H)(CHHP){3|H<1>}	C(C[5]C[5]N[5])(PC[6a]2Ti)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Ti<6>,2|H<1>}	128.2230	0.000	1	128.2230	0.000	1	133.2350	2.538	30	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CHHP){1|Ir<6>,1|C<3>}	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|Pd<5>,1|C<3>,1|N<3>}	128.8670	0.000	1	128.8670	0.000	1	133.2350	2.538	30	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<3>}	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Rh<4>,1|Rh<5>,1|C<3>,1|N<3>}	134.1450	0.000	1	133.0200	2.531	2	133.2350	2.538	30	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<3>}	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){2|Rh<4>,1|C<3>,1|N<3>}	131.8950	0.000	1	133.0200	2.531	2	133.2350	2.538	30	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|Rh<5>}	133.3830	0.880	10	133.6123	0.923	26	133.2350	2.538	30	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]N[5]C)2(H){2|Rh<4>}	133.9605	0.872	4	133.6123	0.923	26	133.2350	2.538	30	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<5>,1|C<4>}	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|Rh<5>}	133.7172	1.165	10	133.6123	0.923	26	133.2350	2.538	30	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHP){1|Rh<5>,1|C<4>}	C(C[5]C[5]N[5])(PC[6a]2Rh)(H)2	C[5](C[5]N[5]C)2(H){2|Rh<5>}	133.5385	0.697	2	133.6123	0.923	26	133.2350	2.538	30	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP){1|C<4>}	C(C[5]C[5]N[5])(PC[6a]2Pd)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	132.0850	0.000	1	132.0850	0.000	1	133.5574	0.940	5	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP)	C(C[5]C[5]N[5])(PPdCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP){1|C<4>}	C(C[5]C[5]N[5])(PPdCC)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	133.8120	0.998	2	133.8120	0.997	2	133.5574	0.940	5	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]N[5]Pt)(C[5]N[5]H)(CHHP)	C(C[5]C[5]N[5])(PC[6]2Pt)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]N[5]Pt)(C[5]N[5]H)(CHHP){1|C<4>}	C(C[5]C[5]N[5])(PC[6]2Pt)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pt<4>}	134.0390	0.048	2	134.0390	0.002	2	133.5574	0.940	5	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	O[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](O[5]C[5]Ru)(C[5]C[5]H)(CHHN)	C(C[5]C[5]O[5])(NRuCH)(H)2	C[5](C[5]C[5]H)(C[5]O[5]C)(H)	C[5](O[5]C[5]Ru)(C[5]C[5]H)(CHHN){2|H<1>}	C(C[5]C[5]O[5])(NRuCH)(H)2	C[5](C[5]C[5]H)(C[5]O[5]C)(H){1|Ru<6>,1|H<1>}	134.8580	0.000	1	134.8580	0.000	1	134.8580	0.000	1	130.1791	14.796	342	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	129.0456	1.333	7	129.0456	1.778	7	129.1050	1.537	9	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	129.3130	1.232	2	129.3130	1.517	2	129.1050	1.537	9	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	126.5380	0.000	1	127.2110	0.343	3	127.2110	0.343	3	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(N[5]C[5]){2|C<4>,3|C<3>}	127.5475	0.076	2	127.2110	0.343	3	127.2110	0.343	3	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	126.6242	0.628	4	126.6242	0.394	4	127.3861	2.107	12	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	127.1255	0.009	2	127.2673	0.755	7	127.3861	2.107	12	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	128.5330	0.000	1	127.2673	0.755	7	127.3861	2.107	12	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|Zn<5>,2|C<4>,3|C<3>}	127.0217	0.939	4	127.2673	0.755	7	127.3861	2.107	12	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	131.2650	0.000	1	131.2650	0.000	1	127.3861	2.107	12	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){3|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	127.7640	0.734	2	127.7640	0.539	2	125.7683	4.895	15	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.8223	0.517	3	125.9224	2.330	12	125.7683	4.895	15	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	125.9558	1.770	9	125.9224	2.330	12	125.7683	4.895	15	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.9280	0.000	1	119.9280	0.000	1	125.7683	4.895	15	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:Se-2:	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(SeCl)	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)2(SeCl){2|H<1>}	131.9715	0.233	2	131.9715	0.054	2	131.9715	0.054	2	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5a]S[5])(N[5]C[5]Re)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[5a]S[5])(N[5]C[5]Re)(CCHH){1|S<2>,2|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	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>}	125.1655	0.107	2	125.1655	0.011	2	125.1655	0.011	2	127.2793	5.289	43	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){1|H<1>,3|C<3>}	123.4210	0.000	1	123.4210	0.000	1	123.7020	0.158	2	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C(C[5]C[5]2)(CClHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	C(C[5]C[5]2)(CClHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H){1|H<1>,3|C<3>}	123.9830	0.000	1	123.9830	0.000	1	123.7020	0.158	2	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	126.4560	0.000	1	126.4560	0.000	1	127.6190	3.937	3	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C(C[5]C[5]2)(CClHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	C(C[5]C[5]2)(CClHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	126.4910	0.000	1	126.4910	0.000	1	127.6190	3.937	3	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH){4|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	129.9100	0.000	1	129.9100	0.000	1	127.6190	3.937	3	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	128.2365	0.151	2	128.2365	0.023	2	127.7547	0.708	3	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CHO)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CHO){1|C<3>}	126.7910	0.000	1	126.7910	0.000	1	127.7547	0.708	3	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]N)(NCH){1|C<3>}	135.2780	0.000	1	135.2780	0.000	1	135.2780	0.000	1	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	123.2530	0.000	1	123.2530	0.000	1	123.2530	0.000	1	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Co<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	123.1780	0.000	1	123.1780	0.000	1	123.9818	1.246	11	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Cu<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]H){1|C<4>,1|O<1>}	123.6525	0.560	4	123.6525	0.314	4	123.9818	1.246	11	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]C)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ni<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]C){1|C<4>,1|O<1>}	126.9720	0.000	1	126.9720	0.000	1	123.9818	1.246	11	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ni<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	123.9997	0.640	3	123.9997	0.410	3	123.9818	1.246	11	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Pd<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	123.5205	0.503	2	123.5205	0.253	2	123.9818	1.246	11	125.5170	9.155	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	128.8600	0.000	1	128.8600	0.000	1	128.8600	0.000	1	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	130.3750	0.000	1	130.3750	0.000	1	130.2050	0.023	3	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){1|B<3>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,1|H<1>,1|O<1>}	130.0810	0.000	1	130.1200	0.003	2	130.2050	0.023	3	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	130.1590	0.000	1	130.1200	0.003	2	130.2050	0.023	3	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){3|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){3|H<1>}	122.2170	0.382	2	122.2170	0.146	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|O<1>,2|C<4>}	126.5250	0.000	1	126.5250	0.000	1	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	128.3980	0.000	1	128.3980	0.000	1	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	126.6394	2.090	46	126.7136	4.313	50	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<4>}	125.8725	0.151	2	126.7136	4.313	50	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	129.2615	0.183	2	126.7136	4.313	50	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	127.8929	0.974	17	127.8929	0.948	17	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Co<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Co<4>,1|C<3>}	128.7760	0.000	1	128.7866	0.950	11	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Cu<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Cu<4>,1|C<3>}	129.1578	0.434	4	128.7866	0.950	11	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ni<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Ni<4>,1|C<3>}	128.3098	1.551	4	128.7866	0.950	11	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Pd<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Pd<4>,1|C<3>}	129.0035	0.401	2	128.7866	0.950	11	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	125.7975	3.944	2	125.7975	15.551	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	126.6470	2.330	6	126.6470	5.430	6	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	125.1793	1.885	12	125.6189	4.256	14	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){3|C<3>}	128.2570	0.051	2	125.6189	4.256	14	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	131.5920	0.000	1	131.5920	0.000	1	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Co<4>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Co<4>,1|O<1>}	131.0840	0.000	1	130.8209	0.277	11	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Cu<4>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Cu<4>,1|O<1>}	130.9555	0.384	4	130.8209	0.277	11	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Ni<4>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ni<4>,1|O<1>}	130.6103	0.586	4	130.8209	0.277	11	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|Pd<4>,1|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Pd<4>,1|O<1>}	130.8415	0.988	2	130.8209	0.277	11	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	130.6843	0.321	3	130.6843	0.103	3	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	130.8795	0.551	6	130.8795	0.304	6	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	130.8350	0.293	2	130.8350	0.086	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]N)(CCHH){1|O<1>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|N<2>}	130.9020	0.000	1	130.9020	0.000	1	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	133.7460	0.669	2	133.7460	0.447	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	131.4955	0.139	2	131.4955	0.019	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[5]CH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	C(C[5]C[5]2)(CC[5]CH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	133.0285	0.500	2	133.0285	0.250	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[5]CH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	C(C[5]C[5]2)(CC[5]CH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	130.9375	0.176	2	130.9375	0.031	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<3>,1|C<4>,1|W<6>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<3>,1|C<4>,1|W<6>}	122.1210	0.393	2	122.4605	0.303	10	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<4>}	122.5454	0.571	8	122.4605	0.303	10	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)2(CCHH){1|O<1>,2|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	122.4490	0.000	1	122.4490	0.000	1	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	123.5185	0.392	2	125.7022	0.562	45	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	125.8038	0.590	43	125.7022	0.562	45	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)2(CCHH){2|C<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CC[6a]HH){2|C<4>}	126.3984	0.558	16	126.3984	0.311	16	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	126.3960	0.901	2	126.3960	0.812	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	126.0480	0.000	1	126.0480	0.000	1	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<3>}	127.0310	0.686	4	127.0310	0.471	4	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	126.7207	0.952	6	126.7207	0.906	6	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	125.9420	0.000	1	125.9420	0.000	1	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH){1|S<2>,2|C<3>,2|O<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH){1|S<2>,2|C<3>,2|O<1>}	122.1270	0.273	2	122.1270	0.074	2	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	127.6960	1.473	12	127.4858	2.169	14	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){3|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|C<3>}	126.2245	0.784	2	127.4858	2.169	14	126.9885	6.298	238	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3){1|C<3>,1|H<1>,1|O<2>}	126.4440	0.000	1	126.4440	0.000	1	126.4440	0.000	1	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Mo<6>,1|B<4>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	127.3222	1.174	6	127.3222	1.378	6	127.4280	0.968	11	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Ni<6>,1|B<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	127.3310	0.181	2	127.5550	0.662	5	127.4280	0.968	11	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Sm<6>,1|B<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	127.7043	1.106	3	127.5550	0.662	5	127.4280	0.968	11	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ti)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ti<9>,1|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ti)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	126.7420	0.000	1	126.7420	0.000	1	127.3774	0.447	13	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](N[5]N[5]Mo)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Mo<6>,1|B<4>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](N[5]N[5]Mo)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	127.5173	0.806	6	127.5173	0.650	6	127.3774	0.447	13	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Ni<6>,1|B<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Ni)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	127.1927	0.370	3	127.1927	0.137	3	127.3774	0.447	13	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)2(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Sm)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CCHH){1|Sm<6>,1|B<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Sm)(C[5]C[5]C)(CH3){1|B<4>,1|C<4>}	127.4940	0.769	3	127.4940	0.591	3	127.3774	0.447	13	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|Ni<4>,1|C<4>}	129.9440	0.707	2	129.9440	0.500	2	129.9440	0.500	2	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	C(C[5]C[5]N[5])(CCCH)(H)2	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|C<4>,1|S<1>}	C(C[5]C[5]N[5])(CCCH)(H)2	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|S<1>,3|C<4>}	129.2550	0.000	1	129.2550	0.000	1	130.8593	2.164	3	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(CCHH){1|Zn<4>,1|C<3>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	131.6615	0.684	2	131.6615	0.468	2	130.8593	2.164	3	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	131.1180	0.000	1	131.1180	0.000	1	131.1180	0.000	1	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){1|Cu<5>,1|C<4>}	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN){1|C<4>,1|H<1>}	129.0265	0.108	2	129.0265	0.012	2	129.0265	0.012	2	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CCHH)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CCHH)	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CCHH){1|Zn<4>,1|C<3>}	129.3920	0.085	2	129.3920	0.007	2	129.3920	0.007	2	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){1|Ir<4>,3|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){1|Ir<4>,3|C<3>}	131.5595	0.575	2	131.5595	0.330	2	131.5595	0.330	2	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN){2|H<1>}	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Cu<5>,1|H<1>}	133.5290	0.000	1	133.5290	0.000	1	132.7293	2.772	7	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN)	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(NCuCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){1|Cu<5>,1|C<4>}	134.7025	0.377	2	134.7025	0.142	2	132.7293	2.772	7	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHHN)	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHHN){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(NMnCC)(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|C<4>}	131.5428	0.900	4	131.5428	0.810	4	132.7293	2.772	7	127.3407	6.683	286	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5a]-3:S[5]-4:C[5]-3:	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C)	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH){1|S<2>,2|C<3>,2|O<1>}	C(C[5]C[5]2)(CCHH)(H)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>}	123.0465	0.317	2	123.0465	0.101	2	123.0465	0.101	2	123.0465	0.101	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]O)(CCHH){3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O){1|H<1>,2|C<4>}	123.0930	0.000	1	123.0930	0.000	1	123.0930	0.000	1	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>}	128.6900	0.000	1	128.6900	0.000	1	128.6900	0.000	1	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	129.5770	0.000	1	129.5770	0.000	1	128.9166	0.265	5	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	128.6540	0.447	3	128.6540	0.200	3	128.9166	0.265	5	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	C(C[5]C[5,6a]C[5])(CHHP)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CHHP)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	129.0440	0.000	1	129.0440	0.000	1	128.9166	0.265	5	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[4,5]-4:C[5]-3:O-1:	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(O)	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH){4|C<4>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(O){1|C<3>,4|C<4>}	119.0130	1.130	2	119.0130	1.277	2	119.0130	1.277	2	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH)	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]N)(CCHH){1|C<4>,1|O<2>}	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5,5]C[5,6]O[5]2)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	129.6100	0.000	1	129.6100	0.000	1	129.6100	0.000	1	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	130.6880	0.000	1	130.6880	0.000	1	130.6880	0.000	1	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){3|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	128.9220	0.427	2	128.9220	0.182	2	130.7624	5.960	18	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>}	128.1045	0.238	2	128.1045	0.057	2	130.7624	5.960	18	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	131.6230	2.731	9	131.6230	7.461	9	130.7624	5.960	18	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5a]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	128.0660	0.000	1	128.0660	0.000	1	130.7624	5.960	18	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[3]HH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CC[3]HH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	131.1090	0.000	1	131.1090	0.000	1	130.7624	5.960	18	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHH){2|H<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	131.9630	1.027	3	131.9630	1.056	3	130.7624	5.960	18	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:I-1:	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(I)	C[5](C[5]C[5]I)(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(I){1|O<1>,2|C<3>}	130.9180	0.000	1	130.9180	0.000	1	130.9180	0.000	1	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]H)(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.3750	0.000	1	121.3750	0.000	1	122.8844	4.369	5	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	120.2620	0.000	1	120.2620	0.000	1	122.8844	4.369	5	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	123.5995	0.030	2	123.5995	0.001	2	122.8844	4.369	5	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH)	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]O[5]N)(CCHH){2|H<1>}	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	125.5860	0.000	1	125.5860	0.000	1	122.8844	4.369	5	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[6a]2C[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[6a]2C[5])(C[5]N[5]C)(H){1|S<4>,2|H<1>,4|C<3>}	128.4610	0.000	1	128.4610	0.000	1	128.9905	0.561	2	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]2O[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH){2|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]2O[5])(C[5]N[5]C)(H){1|S<4>,4|C<3>}	129.5200	0.000	1	129.5200	0.000	1	128.9905	0.561	2	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O)	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	127.0750	0.000	1	126.8355	0.115	2	126.8355	0.115	2	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O)	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH){2|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O){1|O<1>,2|C<4>,4|C<3>}	126.5960	0.000	1	126.8355	0.115	2	126.8355	0.115	2	128.3437	15.755	39	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C(C[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.3950	1.259	2	129.3950	1.584	2	129.3950	1.584	2	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C(C[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	131.9880	0.000	1	131.9880	0.000	1	131.9880	0.000	1	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	B[5,6,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH){2|C<3>,2|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	129.4350	0.000	1	129.4350	0.000	1	129.4350	0.000	1	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH){5|C<3>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	126.9070	0.177	3	126.9070	0.031	3	126.9070	0.031	3	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS)	C[5](C[5]C[5,6]N)(C[5]C[5]H)(CCHH){3|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS){1|O<1>,2|H<1>,3|C<3>}	127.6180	0.000	1	127.6180	0.000	1	127.6180	0.000	1	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCHH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	129.9540	0.000	1	129.9540	0.000	1	125.7100	25.425	3	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)2(CCHH){1|O<1>,2|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN){1|C<4>,1|O<1>}	127.0400	0.000	1	127.0400	0.000	1	125.7100	25.425	3	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]Si)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CCC){1|Si<4>,1|O<1>}	120.1360	0.000	1	120.1360	0.000	1	125.7100	25.425	3	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	130.4320	0.841	6	130.4320	0.707	6	130.4320	0.707	6	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,4|C<3>}	132.0890	0.000	1	132.0890	0.000	1	132.0890	0.000	1	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2)	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2){1|C<3>,1|H<1>,1|O<1>}	133.0460	0.000	1	133.0460	0.000	1	133.0680	0.001	2	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CC[6a]2)	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CC[6a]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	133.0900	0.000	1	133.0900	0.000	1	133.0680	0.001	2	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH){2|N<3>,3|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO){1|N<2>,5|C<3>}	129.5110	0.000	1	129.5110	0.000	1	129.1305	0.290	2	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH)	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH){2|N<3>,3|C<3>}	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO){2|C<4>,4|C<3>}	128.7500	0.000	1	128.7500	0.000	1	129.1305	0.290	2	129.1322	8.258	23	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	B[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](B[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(CCHH)	C(C[5]B[5]C[5])(CH3)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH)	C[5](B[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(CCHH){2|C<3>,4|C<4>}	C(C[5]B[5]C[5])(CH3)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH){1|B<3>,2|C<3>,3|C<4>}	124.4240	0.000	1	124.4240	0.000	1	124.4240	0.000	1	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH)	C(C[5]C[5,6]C[5])(CH3)(H)2	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH)	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH){1|C<4>,1|S<1>,2|C<3>}	C(C[5]C[5,6]C[5])(CH3)(H)2	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH){1|C<3>,1|P<2>}	124.9900	0.000	1	124.9900	0.000	1	124.9900	0.000	1	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3){2|C<3>}	124.4825	0.974	2	124.4825	0.948	2	124.4825	0.948	2	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH){1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH){4|C<3>}	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CCHH)	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH){4|C<4>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,3|C<4>}	131.4105	0.924	2	131.4105	0.854	2	131.4105	0.854	2	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)2(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]C)2(CCHH){2|C<3>,2|C<4>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	124.5354	0.957	16	124.5354	0.917	16	124.5354	0.917	16	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]TiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ti<9>,1|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]TiH)(C[5]C[5]C)(CH3){1|C<4>}	125.9160	0.000	1	125.9160	0.000	1	128.4265	4.208	6	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>}	129.7090	0.000	1	130.2303	0.240	3	128.4265	4.208	6	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){3|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	130.4910	0.267	2	130.2303	0.240	3	128.4265	4.208	6	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH){2|C<3>,2|C<4>}	126.9760	0.539	2	126.9760	0.290	2	128.4265	4.208	6	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](P[5]C[5]CW)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<3>,1|C<4>,1|W<6>}	C(C[5]C[5]2)(CH3)(H)2	C[5](P[5]C[5]CW)(C[5]C[5]C)(CCHH){2|C<4>}	123.0625	0.551	2	123.0625	0.303	2	123.0625	0.303	2	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP)	C(C[5]C[5]N[5])(PO3)(H)2	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5])(PO3)(H)2	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	130.0380	0.000	1	130.0380	0.000	1	130.0380	0.000	1	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	Si[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH)	C(C[5]Si[5]C[5])(CH3)(H)2	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH)	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH){2|Si<4>,1|C<4>}	C(C[5]Si[5]C[5])(CH3)(H)2	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH){2|Si<4>}	122.5470	0.000	1	122.5470	0.000	1	122.5470	0.000	1	125.6867	6.792	33	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]2)(C[5]O[5]O)(CCHH){2|C<4>,3|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]2H)(C[5]O[5]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	132.2525	0.906	2	132.2525	0.820	2	132.2525	0.820	2	132.2525	0.820	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:2:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO)	C(C[5]C[5]2)(CH3)(OH)(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CH3)(OH)(H)	C[5](O[5]C[5,5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:2:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO)	C(C[5]C[5]2)(CCHH)(OH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(CCHH)(OH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	121.6020	0.000	1	121.6020	0.000	1	124.4617	6.168	3	124.4617	6.168	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:2:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)	C(C[5]C[5]2)(CCHH)(OC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CCHH)(OC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	125.8915	0.264	2	125.8915	0.070	2	124.4617	6.168	3	124.4617	6.168	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO)	C(C[5]C[5]2)(CH3)(OH)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]O)(CCHO){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CH3)(OH)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	130.3700	0.000	1	130.3700	0.000	1	130.3700	0.000	1	127.6440	5.584	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)	C(C[5]C[5]2)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	126.2810	0.143	2	126.2810	0.020	2	126.2810	0.020	2	127.6440	5.584	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:2:1:	4:4:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[3,5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO)	C(C[5]C[5]2)(CCHH)(OH)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[3,5]C[5])(C[5]O[5]O)(CCHO){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(CCHH)(OH)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	130.5450	0.000	1	130.5450	0.000	1	130.5450	0.000	1	130.5450	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CH3)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CH3)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){2|C<3>}	127.1170	0.000	1	127.1170	0.000	1	127.1170	0.000	1	127.1170	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CH3)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(C[5]C[5]2)(CH3)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){2|H<1>}	125.5070	0.000	1	125.5070	0.000	1	125.5070	0.000	1	125.5070	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH)	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH){1|H<1>,3|C<3>}	124.1650	0.803	4	124.1650	0.645	4	124.1650	0.645	4	124.1650	0.645	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	125.2630	0.000	1	125.2630	0.000	1	124.3675	1.604	2	121.0465	7.934	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH){3|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	123.4720	0.000	1	123.4720	0.000	1	124.3675	1.604	2	121.0465	7.934	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	118.6100	0.626	3	118.6100	0.391	3	119.9395	4.904	6	121.0465	7.934	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	118.3120	0.000	1	118.3120	0.000	1	119.9395	4.904	6	121.0465	7.934	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){2|H<1>}	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){3|H<1>}	122.6530	0.000	1	122.6530	0.000	1	119.9395	4.904	6	121.0465	7.934	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){1|C<3>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	122.8420	0.000	1	122.8420	0.000	1	119.9395	4.904	6	121.0465	7.934	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){2|C<3>}	125.9590	0.222	2	125.9590	0.049	2	125.9590	0.049	2	125.9590	0.049	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<3>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H){2|C<3>}	129.0620	0.000	1	129.0620	0.000	1	129.0620	0.000	1	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>}	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	120.6120	0.414	2	120.6120	0.172	2	123.7967	30.512	3	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){1|C<3>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]O[5]C)(H){1|O<1>}	130.1660	0.000	1	130.1660	0.000	1	123.7967	30.512	3	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH)	C(C[5]C[5]2)(CCHH)(CF3)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH){1|C<3>,1|O<1>}	C(C[5]C[5]2)(CCHH)(CF3)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	118.0115	0.196	2	118.0115	0.038	2	118.0115	0.038	2	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:P-4:C-4:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CCHP)	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	120.6370	0.966	2	120.6370	0.933	2	120.6370	0.933	2	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(CCCH){1|Cr<5>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Cr<5>,1|B<4>}	131.2390	0.000	1	131.2390	0.000	1	130.3382	2.357	9	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Cr)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Cr)(CCCH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Cr<5>,1|B<4>}	131.2608	1.734	4	131.2608	3.007	4	130.3382	2.357	9	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Fe)(CCCH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Fe<4>,1|B<4>}	129.1415	0.582	2	129.1415	0.339	2	130.3382	2.357	9	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]Mn)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]Mn)(CCCH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Mn<4>,1|B<4>}	129.2395	0.060	2	129.2395	0.004	2	130.3382	2.357	9	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Co<3>,1|B<4>}	128.2405	0.202	2	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	128.9847	0.871	12	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<4>,1|B<4>}	129.8910	0.642	2	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<5>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	129.1159	0.709	11	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<6>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	128.8210	0.818	21	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ni<3>,1|B<4>}	128.7915	0.153	2	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<5>,1|C<3>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	130.3200	0.000	1	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<5>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	128.1065	0.111	2	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|B<4>}	128.9997	0.624	12	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ru<6>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|B<4>}	130.0103	0.227	3	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Sm<8>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Sm<8>,1|B<4>}	128.0727	0.367	3	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	128.7672	0.535	6	128.9423	0.606	77	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Co<5>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	131.5350	0.232	2	130.9058	0.525	13	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	130.8423	0.868	7	130.9058	0.525	13	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Ir<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ir<4>,1|C<4>}	130.2870	0.000	1	130.9058	0.525	13	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Rh<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|C<4>}	130.2870	0.000	1	130.9058	0.525	13	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Zn<6>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|C<4>}	131.1180	0.205	2	130.9058	0.525	13	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Ni<5>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|H<1>}	132.5270	0.000	1	132.5270	0.000	1	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<5>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	132.3593	1.018	3	132.1870	0.702	5	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<6>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|H<1>}	131.4220	0.000	1	132.1870	0.702	5	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Sm<8>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Sm<8>,1|H<1>}	132.4350	0.000	1	132.1870	0.702	5	129.4146	1.572	96	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH){1|Fe<6>,1|B<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]B)(H){1|Fe<6>,1|C<4>}	127.0703	0.551	3	127.0703	0.303	3	127.0703	0.303	3	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CCCH){1|Co<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	128.5540	0.000	1	128.5540	0.000	1	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Al)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Al)(C[5]C[5]H)(CCCH){1|Li<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Al<4>,1|Li<4>}	129.6317	0.372	3	129.6317	0.138	3	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Co<3>,1|B<4>}	128.5340	1.225	2	129.3317	0.984	16	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	129.6740	0.898	11	129.3317	0.984	16	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	127.7980	0.000	1	129.3317	0.984	16	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CCCH){2|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	129.0135	0.285	2	129.3317	0.984	16	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<4>,1|B<4>}	130.3850	0.926	2	127.3932	2.150	40	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	128.2622	1.001	11	127.3932	2.150	40	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	126.4990	0.893	21	127.3932	2.150	40	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	127.8653	1.582	3	127.3932	2.150	40	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|H<1>}	125.8730	0.000	1	127.3932	2.150	40	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|Cr<5>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){2|Cr<5>}	129.0620	0.683	2	127.3932	2.150	40	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CCCH){2|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	128.5769	0.600	7	128.5769	0.360	7	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	128.0165	0.429	2	128.0165	0.184	2	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ir)(C[5]C[5]H)(CCCH){2|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ir<4>,1|C<4>}	128.6540	0.000	1	128.6540	0.000	1	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CCCH){1|Al<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Al<4>,1|Li<4>}	128.6753	0.650	3	128.6753	0.423	3	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|C<4>}	128.2685	0.605	2	128.2685	0.366	2	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CCCH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mo<6>,1|B<4>}	127.7569	1.017	69	127.7569	1.034	69	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	128.0197	0.265	3	128.0197	0.070	3	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ni<3>,1|B<4>}	127.7940	0.173	2	127.5950	0.747	4	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	127.3960	1.433	2	127.5950	0.747	4	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|B<4>}	129.1042	1.121	12	129.1042	1.257	12	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Re<6>,1|C<3>}	126.7183	1.534	3	126.7183	2.352	3	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CCCH){2|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|C<4>}	128.5510	0.000	1	128.5510	0.000	1	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|B<4>}	124.4473	2.341	3	124.4473	5.479	3	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Sm<8>,1|B<4>}	127.3397	0.392	3	127.3485	0.103	4	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Sm)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Sm<8>,1|H<1>}	127.3750	0.000	1	127.3485	0.103	4	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CCCH){1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Ti<9>}	130.7351	0.725	8	130.7351	0.525	8	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	129.2638	0.775	6	128.9783	0.410	16	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|Zn<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Zn<3>,1|Zn<4>}	128.7378	0.665	4	128.9783	0.410	16	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Zn<3>,1|Zn<4>}	128.8675	0.254	4	128.9783	0.410	16	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CCCH){2|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|C<4>}	128.8245	0.900	2	128.9783	0.410	16	128.1296	2.063	198	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH){1|C<4>,1|P<3>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<5>,1|P<3>}	128.9427	0.474	3	129.0768	0.413	5	129.0768	0.413	5	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH)	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH){2|C<4>}	C(C[5]C[5]N[5])(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	129.2780	1.034	2	129.0768	0.413	5	129.0768	0.413	5	128.4353	3.753	319	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:P-4:C-4:H-1:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]O)2(CCHP)	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(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>}	131.6920	1.321	2	131.6920	1.745	2	131.6920	1.745	2	131.6920	1.745	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH)	C(C[5]C[5]2)(CCHH)(CF3)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH){1|C<3>,1|O<1>}	C(C[5]C[5]2)(CCHH)(CF3)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	132.4130	0.247	2	132.4130	0.061	2	133.1735	0.593	6	133.1735	0.593	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	133.5833	0.761	3	133.5833	0.580	3	133.1735	0.593	6	133.1735	0.593	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCCH){1|O<1>}	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCHH){1|O<1>}	133.4650	0.000	1	133.4650	0.000	1	133.1735	0.593	6	133.1735	0.593	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]O)(CCCH){3|H<1>,4|C<4>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(O){1|O<2>,2|H<1>,3|C<4>}	119.7788	1.351	4	119.7788	1.825	4	119.7788	1.825	4	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){3|C<4>}	123.2810	0.000	1	123.2810	0.000	1	123.9765	0.967	2	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH)	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCCH){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(O){1|H<1>,2|C<4>}	124.6720	0.000	1	124.6720	0.000	1	123.9765	0.967	2	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H){1|H<1>,1|O<3>,6|C<3>}	128.1710	0.363	2	128.1710	0.132	2	128.1710	0.132	2	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H){2|C<3>}	127.3510	0.000	1	127.3510	0.000	1	128.0560	0.994	2	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]C[5]Ru)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|Ru<6>,1|C<5>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]C[5]Ru)(C[5]C[5,6a]C)(H){1|Ru<7>,2|C<3>,2|C<4>}	128.7610	0.000	1	128.7610	0.000	1	128.0560	0.994	2	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	130.0530	0.000	1	130.0530	0.000	1	130.0530	0.000	1	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	122.8600	0.000	1	122.8600	0.000	1	122.8600	0.000	1	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	129.4490	0.000	2	129.4490	0.000	2	129.5603	0.037	3	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH)	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCH){2|H<1>}	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	129.7830	0.000	1	129.7830	0.000	1	129.5603	0.037	3	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(O){1|C<3>,2|C<4>}	120.1540	3.854	2	120.1540	14.851	2	121.3356	4.949	5	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	122.5640	0.000	1	122.5640	0.000	1	121.3356	4.949	5	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	121.9030	0.000	2	121.9030	0.000	2	121.3356	4.949	5	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:S-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHS)	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHS){1|C<4>,3|H<1>}	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|S<4>}	131.0470	0.000	1	131.0470	0.000	1	131.0470	0.000	1	124.7067	18.588	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>}	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	131.0120	0.281	2	131.0120	0.079	2	130.3790	4.458	5	130.3790	4.458	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	130.7465	3.560	2	130.7465	12.676	2	130.3790	4.458	5	130.3790	4.458	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	128.3780	0.000	1	128.3780	0.000	1	130.3790	4.458	5	130.3790	4.458	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3)	C(C[5]C[5]2)(CH3)2(CCO)	C[5](C[5]C[5]C)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3){1|H<1>,2|O<1>}	C(C[5]C[5]2)(CH3)2(CCO)	C[5](C[5]C[5]C)(C[5]S[5]H)(H){1|H<1>,2|O<1>}	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:3:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-3:	S[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3)	C(C[5]C[5]2)(CH3)2(CCO)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]S[5]H)(CC3){1|H<1>,2|O<1>}	C(C[5]C[5]2)(CH3)2(CCO)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H){2|H<1>}	125.9470	0.000	1	125.9470	0.000	1	125.9470	0.000	1	125.9470	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CC3){2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](O[5]C[5,6])(C[5]C[5]C)(O){1|O<2>,2|C<4>}	121.4895	0.354	2	121.4895	0.126	2	121.4895	0.126	2	121.4895	0.126	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC3){2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<4>}	122.5730	0.000	1	122.5730	0.000	1	122.5730	0.000	1	129.5587	36.793	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]Pd)(C[5]S[5]H)(CC3)	C(C[5]C[5]N[5])(CPdHH)(CH3)2	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[5]Pd)(C[5]S[5]H)(CC3){1|N<2>}	C(C[5]C[5]N[5])(CPdHH)(CH3)2	C[5](C[5]N[5]C)(S[5]C[5])(H){1|Pd<4>,1|N<2>}	133.0515	0.622	2	133.0515	0.386	2	133.0515	0.386	2	129.5587	36.793	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<2>,1|P<4>,2|C<3>}	125.7835	0.957	2	125.8948	0.501	12	125.8948	0.501	12	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	125.8743	0.650	8	125.8948	0.501	12	125.8948	0.501	12	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)2(CC3){2|P<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5,5]C[5,5]P[5])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|P<4>}	126.0880	1.240	2	125.8948	0.501	12	125.8948	0.501	12	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){2|C<3>}	124.3105	0.142	2	123.9570	8.625	4	125.4790	3.330	21	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	127.1640	0.000	1	123.9570	8.625	4	125.4790	3.330	21	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<2>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|Ga<2>,1|C<4>,1|H<1>}	120.0430	0.000	1	123.9570	8.625	4	125.4790	3.330	21	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	123.5990	0.000	1	125.8882	1.904	16	125.4790	3.330	21	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|C<4>,1|H<1>}	128.7000	0.000	1	125.8882	1.904	16	125.4790	3.330	21	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	124.9168	0.613	6	125.8882	1.904	16	125.4790	3.330	21	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]H)2(CC3){2|C<3>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|C<3>,1|H<1>}	126.5514	0.789	8	125.8882	1.904	16	125.4790	3.330	21	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>}	125.0200	0.000	1	125.0200	0.000	1	125.4790	3.330	21	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]Y)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]Y)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Y<11>,1|C<4>}	126.5450	0.000	1	126.5450	0.000	1	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	126.3323	1.085	3	126.3323	1.178	3	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<4>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>}	128.2996	0.476	9	128.0819	0.302	38	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<5>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	127.8909	0.565	11	128.0819	0.302	38	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	128.0831	0.523	12	128.0819	0.302	38	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|N<3>,2|C<3>}	128.1810	0.000	1	128.0819	0.302	38	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<5>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	128.0880	0.761	5	128.0819	0.302	38	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Mg<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	127.9305	0.354	2	127.2904	3.954	17	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Mg<5>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Mg<5>,1|C<4>}	125.5705	3.082	2	127.2904	3.954	17	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Ni<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	128.4667	0.021	3	127.2904	3.954	17	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	128.5422	0.612	4	127.2904	3.954	17	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	127.5710	0.000	2	127.2904	3.954	17	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	125.5557	2.778	4	127.2904	3.954	17	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cu<4>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	131.5340	0.000	1	131.0308	0.433	14	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Fe<6>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	130.9300	0.662	6	131.0308	0.433	14	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ir<6>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	130.8020	0.707	5	131.0308	0.433	14	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Rh<6>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	131.8600	0.000	1	131.0308	0.433	14	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ru<9>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>}	131.4470	0.000	1	131.0308	0.433	14	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ru<8>,1|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<8>,1|H<1>,2|C<3>}	132.2430	2.076	2	132.2430	4.310	2	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	131.5130	0.000	1	131.4933	0.671	23	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cu<6>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<6>,1|H<1>}	131.0895	0.394	2	131.4933	0.671	23	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Fe<6>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|H<1>}	131.6668	0.599	4	131.4933	0.671	23	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Pd<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Pd<4>,1|H<1>}	130.4285	0.282	4	131.4933	0.671	23	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Zn<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Zn<4>,1|H<1>}	131.8561	0.783	12	131.4933	0.671	23	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<3>,1|N<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]N)(H){1|C<3>,1|H<1>}	129.5020	0.000	1	129.5020	0.000	1	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	131.2447	1.031	3	131.2614	0.743	13	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){2|H<1>}	131.7435	1.067	2	131.2614	0.743	13	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cr<5>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	131.7220	0.000	1	131.2614	0.743	13	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Li<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Li<4>,1|H<1>}	131.0660	0.000	1	131.2614	0.743	13	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	131.0648	0.970	6	131.2614	0.743	13	129.4264	4.393	112	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CC3){1|C<4>,1|P<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	128.2600	0.000	1	128.2600	0.000	1	130.9378	2.350	5	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3){1|C<4>,1|S<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	132.1400	0.000	1	131.6072	0.146	4	130.9378	2.350	5	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3){1|Ir<8>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	131.4297	0.172	3	131.6072	0.146	4	130.9378	2.350	5	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[3,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3)	C(C[5]N[3,5]C[5])(CH3)3	C[5](C[5]N[3,5]C)2(H)	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3){1|C<4>,2|N<2>,2|N<3>}	C(C[5]N[3,5]C[5])(CH3)3	C[5](C[5]N[3,5]C)2(H){1|Nb<6>}	130.3347	0.839	4	130.4395	0.500	8	130.0506	0.896	17	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[3,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3)	C(C[5]N[3,5]C[5])(CH3)3	C[5](C[5]N[3,5]C)2(H)	C[5](N[3,5]Nb[3,3,6]N[3,5])(C[5]C[5]H)(CC3){1|Cl<1>,1|C<4>,1|N<2>,3|N<3>}	C(C[5]N[3,5]C[5])(CH3)3	C[5](C[5]N[3,5]C)2(H){1|Nb<7>}	130.5443	0.657	4	130.4395	0.500	8	130.0506	0.896	17	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[3,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3)	C(C[5]N[3,5]C[5])(CH3)3	C[5](C[5]N[3,5]C)2(H)	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3){1|C<4>,6|N<3>}	C(C[5]N[3,5]C[5])(CH3)3	C[5](C[5]N[3,5]C)2(H){1|Nb<8>}	129.5323	0.614	3	129.7049	1.069	9	130.0506	0.896	17	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[3,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3)	C(C[5]N[3,5]C[5])(CH3)3	C[5](C[5]N[3,5]C)2(H)	C[5](N[3,5]Nb[3x3]N[3,5])(C[5]C[5]H)(CC3){2|Cl<1>,1|C<4>,4|N<3>}	C(C[5]N[3,5]C[5])(CH3)3	C[5](C[5]N[3,5]C)2(H){1|Nb<8>}	129.7912	1.238	6	129.7049	1.069	9	130.0506	0.896	17	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|N<3>,3|C<3>}	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	125.6950	0.000	1	125.4977	1.894	4	126.3396	4.719	8	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|O<2>,3|C<3>}	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	125.5920	0.000	1	125.4977	1.894	4	126.3396	4.719	8	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|S<2>,3|C<3>}	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	123.6800	0.000	1	125.4977	1.894	4	126.3396	4.719	8	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|O<2>,2|C<3>,2|C<4>}	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<4>}	127.0240	0.000	1	125.4977	1.894	4	126.3396	4.719	8	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<2>,1|O<2>}	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	127.6760	0.000	1	127.1815	7.227	4	126.3396	4.719	8	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<2>,1|S<2>}	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	125.0680	0.000	1	127.1815	7.227	4	126.3396	4.719	8	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<3>,1|S<1>}	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	125.1930	0.000	1	127.1815	7.227	4	126.3396	4.719	8	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]N[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<4>}	130.7890	0.000	1	127.1815	7.227	4	126.3396	4.719	8	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC3)	C(C[5]N[5,5a]C[5])(CH3)3	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC3){1|C<4>,1|O<2>,3|C<3>}	C(C[5]N[5,5a]C[5])(CH3)3	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	126.8470	0.000	1	126.8470	0.000	1	127.9260	2.328	2	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,5a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3)	C(C[5]N[5,5a]C[5])(CH3)3	C[5](C[5]N[5,5a]C)2(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<1>,1|O<2>}	C(C[5]N[5,5a]C[5])(CH3)3	C[5](C[5]N[5,5a]C)2(H){1|B<4>,1|C<3>}	129.0050	0.000	1	129.0050	0.000	1	127.9260	2.328	2	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5,6,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3)	C(C[5]N[5,6,6a]C[5])(CH3)3	C[5](C[5]N[5,6,6a]C)2(H)	C[5](N[5,6,6a]B[6,6a,6a]N[5,6,6a])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]N[5,6,6a]C[5])(CH3)3	C[5](C[5]N[5,6,6a]C)2(H){2|B<4>}	127.3645	0.227	2	127.3645	0.052	2	127.3645	0.052	2	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5](N[5]N[5,6]Pd)(C[5]C[5,6]H)(CC3)	C(C[5]C[5]N[5])(CPdHH)(CH3)2	C[5](C[5,6]N[5,6]N[6])(C[5]N[5]C)(H)	C[5](N[5]N[5,6]Pd)(C[5]C[5,6]H)(CC3){1|C<3>,1|N<2>}	C(C[5]C[5]N[5])(CPdHH)(CH3)2	C[5](C[5,6]N[5,6]N[6])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	137.2290	0.000	1	137.2290	0.000	1	137.2290	0.000	1	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[4,5]C[6a])(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H)	C[5](N[5]B[4,5]C[6a])(C[5]C[5]H)(CC3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,1|O<2>}	119.4460	0.000	1	119.4460	0.000	1	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Dy)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Dy)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Dy<11>,1|C<4>}	126.3900	0.000	1	126.3900	0.000	1	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Er)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Er)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Er<11>,1|C<4>}	126.1380	0.000	1	126.1380	0.000	1	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Pt)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Pt)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Pt<6>,1|C<3>,1|O<2>}	121.6720	1.230	2	121.6720	1.514	2	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CC3){1|Mg<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H){1|Mg<4>,1|C<3>,1|N<3>}	117.2420	0.000	1	117.2420	0.000	1	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	127.4210	0.000	1	127.4210	0.000	1	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	127.1510	0.267	3	127.1510	0.071	3	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Cr<4>,1|B<4>}	127.5277	0.756	6	126.7867	1.259	15	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Cr)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	126.2928	1.077	9	126.7867	1.259	15	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CC3){1|H<1>,1|P<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<4>,1|P<4>}	128.1417	0.642	3	128.1417	0.413	3	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Li<3>,1|B<4>}	128.8823	0.488	3	128.7760	0.333	5	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Li<4>,1|B<4>}	128.6165	0.879	2	128.7760	0.333	5	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Li<4>,1|H<1>}	128.7120	0.000	1	128.8545	0.975	6	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){1|Li<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){2|Li<4>}	130.0900	0.000	1	128.8545	0.975	6	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li)(C[5]C[5]H)(CC3){2|Li<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){3|Li<3>}	128.5813	1.005	4	128.8545	0.975	6	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|B<4>}	128.1979	0.508	16	128.1821	0.235	20	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3){2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	127.7855	0.298	2	128.1821	0.235	20	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mg)(C[5]C[5]H)(CC3){2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Mg<5>,1|C<4>}	128.4520	0.163	2	128.1821	0.235	20	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Mo)(C[5]C[5]H)(CC3){1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Mo<5>}	130.4430	0.877	4	130.4430	0.770	4	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CC3){2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	127.8057	0.613	3	127.8057	0.375	3	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3){1|Pd<4>,1|H<1>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|Pd<4>}	128.3115	0.296	4	128.3115	0.088	4	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	125.2105	0.457	4	125.3273	0.158	6	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CC3){2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	125.5610	0.000	2	125.3273	0.158	6	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Re)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Re)(C[5]C[5]H)(CC3){1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Re<6>}	130.7837	1.129	4	130.7837	1.274	4	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ti)(C[5]C[5]H)(CC3){1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Ti<8>}	131.3677	0.395	6	131.3677	0.156	6	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CC3){1|B<4>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	127.7403	0.529	18	127.7520	0.457	22	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Zn)(C[5]C[5]H)(CC3){2|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	127.8045	1.267	4	127.7520	0.457	22	127.7833	4.854	108	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Ir)(C[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(CC3){1|C<4>,1|S<2>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<5>,1|S<2>}	129.6000	0.000	1	129.6000	0.000	1	128.1608	0.955	4	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CC3){1|C<4>,1|P<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ru<8>,1|P<4>}	127.6810	0.226	3	127.6810	0.051	3	128.1608	0.955	4	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:P[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]P[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(P[5]P[5]C)(H)	C[5](N[5]C[6a]P[5])(C[5]P[5]H)(CC3){1|Cl<1>,1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(P[5]P[5]C)(H){1|Cl<1>,1|C<3>}	122.9240	0.000	1	122.9240	0.000	1	122.9240	0.000	1	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	P[5,5]-3:C[5]-3:H-1:	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](P[5,5]P[5,5]C[5])(C[5]N[5]C)(H)	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3){1|N<3>,3|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](P[5,5]P[5,5]C[5])(C[5]N[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	120.5340	3.311	2	120.5340	10.961	2	120.5340	10.961	2	128.2809	6.491	295	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[6]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[6]C[6]N[6])(C[5]C[5]C)(N[5]C[5])	C[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]2)(CH3)3	C[5](C[6]C[6]N[6])(C[5]C[5]C)(N[5]C[5]){1|Fe<4>,1|C<4>,2|C<3>,2|H<1>}	128.8420	0.000	1	128.8420	0.000	1	128.8420	0.000	1	128.8420	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	126.8820	0.000	1	126.8820	0.000	1	128.2453	1.398	3	128.3123	1.834	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	128.9270	0.089	2	128.9270	0.008	2	128.2453	1.398	3	128.3123	1.834	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]O)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC3){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]O)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,1|O<2>}	129.4025	0.260	2	129.4025	0.067	2	129.4025	0.067	2	128.3123	1.834	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	B[5]-3:C[5]-3:P-3:	C[5](N[5]C[6a]C[5])(C[5]B[5]P)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](B[5]C[6a]C[5])(C[5]N[5]C)(PC[6a]2)	C[5](N[5]C[6a]C[5])(C[5]B[5]P)(CC3){2|H<1>,3|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](B[5]C[6a]C[5])(C[5]N[5]C)(PC[6a]2){2|H<1>,3|C<3>}	126.3330	0.000	1	126.3330	0.000	1	126.3330	0.000	1	128.3123	1.834	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Al<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Al<4>,1|C<4>,1|H<1>}	131.9930	0.604	2	131.9930	0.365	2	131.9930	0.365	2	130.9834	6.832	11	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5]Re)(C[5]C[5]C)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(CH3)	C[5](N[5]N[5]Re)(C[5]C[5]C)(CC3){1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(CH3){1|Re<5>}	131.6775	0.295	2	131.6775	0.087	2	131.6775	0.087	2	130.9834	6.832	11	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]Pb)(C[5]C[5]C)(CC3)	C(C[5]C[5]P[5])(CH3)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5]Pb)(C[5]C[5]C)(CC3){2|C<4>}	C(C[5]C[5]P[5])(CH3)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pb<4>,1|C<4>}	126.9875	0.186	2	126.9875	0.035	2	127.2023	0.156	3	130.9834	6.832	11	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]Tm)(C[5]C[5]C)(CC3)	C(C[5]C[5]P[5])(CH3)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5]Tm)(C[5]C[5]C)(CC3){2|C<4>}	C(C[5]C[5]P[5])(CH3)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Tm<14>,1|C<4>}	127.6320	0.000	1	127.6320	0.000	1	127.2023	0.156	3	130.9834	6.832	11	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	P[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]Pt)(C[5]P[5]C)(CC3)	C(C[5]C[5]P[5])(CH3)3	C[5](P[5]C[5]Pt)(C[5]P[5]C)(CC3)	C[5](P[5]C[5]Pt)(C[5]P[5]C)(CC3){1|C<4>}	C(C[5]C[5]P[5])(CH3)3	C[5](P[5]C[5]Pt)(C[5]P[5]C)(CC3){1|C<4>}	132.9673	1.406	4	132.9673	1.976	4	132.9673	1.976	4	130.9834	6.832	11	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	3:4:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C-4:S[5]-2:	C[5](C[5]S[5]C)(N[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C[5](C[5]S[5]C)(N[5]C[5]H)(CC3){1|N<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	132.9244	0.983	5	132.9244	0.966	5	132.9244	0.966	5	132.9244	0.966	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(CC3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	128.9965	0.093	2	128.9965	0.009	2	128.9965	0.009	2	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[3,5]-4:C[5]-3:O-1:	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[3,5]C[3,5]2H)(C[5]C[5]C)(O)	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(CC3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[3,5]C[3,5]2H)(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<4>}	123.1350	0.042	2	123.1350	0.002	2	123.1350	0.002	2	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Al<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	120.4430	1.449	3	120.4430	2.100	3	125.9209	15.916	10	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC3){2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	130.7830	0.000	1	130.7830	0.000	1	125.9209	15.916	10	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	128.6685	0.467	2	128.6685	0.218	2	125.9209	15.916	10	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	127.4130	0.709	2	127.4400	0.279	4	125.9209	15.916	10	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)2(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)2(CC3){1|Ga<4>,2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	127.4670	0.576	2	127.4400	0.279	4	125.9209	15.916	10	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]Co)(C[5]C[5,5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]C[5,5]Co)(C[5]C[5,5]H)(CC3){1|N<3>,3|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(H){2|Co<3>,5|C<3>}	125.1750	0.144	2	125.1750	0.021	2	125.1750	0.021	2	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|N<2>,3|C<3>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<2>,2|N<3>}	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	125.7580	11.364	17	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CC3){2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<4>,4|H<1>}	134.2370	0.843	2	134.2370	0.710	2	134.2370	0.710	2	134.2370	0.710	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3)	C(C[5]C[5,6a]C[5])(CH3)3	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5])(CH3)3	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	129.4810	0.000	1	129.4810	0.000	1	129.4810	0.000	1	129.4810	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Al<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	133.9680	0.000	1	133.9680	0.000	1	133.9295	0.003	2	133.9295	0.003	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<2>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	133.8910	0.000	1	133.8910	0.000	1	133.9295	0.003	2	133.9295	0.003	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	3:5:4:4:	3:3:4:	P[5]-3:C[5]-3:C-4:	C[5]-3:C-5:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]Tm)(C[5]C[5]C)(CC3)	C(C[5]C[5]P[5])(CTmH3)(CH3)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5]Tm)(C[5]C[5]C)(CC3){2|C<4>}	C(C[5]C[5]P[5])(CTmH3)(CH3)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Tm<14>,1|C<4>}	128.0000	0.000	1	128.0000	0.000	1	128.0000	0.000	1	128.0000	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH){1|O<1>}	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH){1|C<4>,4|C<3>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]C)(O){3|C<3>}	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	128.4330	42.748	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[6]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH){2|H<1>}	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	132.1960	0.731	2	132.1960	0.535	2	132.1960	0.535	2	128.4330	42.748	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HH){1|O<1>}	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|O<1>}	132.0740	0.000	1	132.0740	0.000	1	132.0740	0.000	1	132.0740	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH)	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	122.4910	0.000	1	122.4910	0.000	1	122.4910	0.000	1	122.4910	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH){1|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	128.0040	8.828	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH){1|C<4>,4|C<3>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	130.1050	0.000	1	130.1050	0.000	1	130.1050	0.000	1	128.0040	8.828	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH)	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	128.0130	0.000	1	128.0130	0.000	1	128.0130	0.000	1	128.0130	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:2:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	127.7910	0.000	1	127.7910	0.000	1	127.7910	0.000	1	127.7910	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:3:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:O-2:	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OC)	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH){2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OC){1|O<1>,2|H<1>}	126.3920	0.000	1	126.3920	0.000	1	126.3920	0.000	1	126.3920	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(CC[5]CH){2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|O<2>}	127.0080	0.000	1	127.0080	0.000	1	127.0080	0.000	1	127.0080	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:4:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH){2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(O){3|H<1>}	121.7548	0.871	5	121.7548	0.759	5	121.7548	0.759	5	121.7548	0.759	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	P-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(CCHP)	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	124.4885	1.346	2	124.4885	1.811	2	124.4885	1.811	2	124.4885	1.811	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	P-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]O)2(CCHP)	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd)	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	126.4695	0.726	2	126.4695	0.527	2	126.4695	0.527	2	126.4695	0.527	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:3:4:	4:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[5]CH){2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(H){1|O<1>}	130.9920	0.532	5	130.9920	0.283	5	130.9920	0.283	5	130.9920	0.283	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	129.9860	0.000	1	129.9875	0.000	2	129.9875	0.000	2	129.8081	0.470	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	129.9890	0.000	1	129.9875	0.000	2	129.9875	0.000	2	129.8081	0.470	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	129.8715	0.784	2	129.5568	0.526	5	129.5568	0.526	5	129.8081	0.470	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	128.9160	0.000	1	129.5568	0.526	5	129.5568	0.526	5	129.8081	0.470	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|N<3>}	129.5625	0.938	2	129.5568	0.526	5	129.5568	0.526	5	129.8081	0.470	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5])	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	130.7060	0.000	1	130.7060	0.000	1	130.7060	0.000	1	129.8081	0.470	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:2:	C[5]-3:C-4:S[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5]){1|N<2>,2|C<3>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	131.9730	0.000	1	131.9730	0.000	1	131.9730	0.000	1	131.9730	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:4:	C[5]-3:C-4:S[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]H)(CC3)	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]H)(CC3){1|N<3>}	132.9778	1.377	5	132.9778	1.896	5	132.5778	2.476	6	132.5778	2.476	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:4:	C[5]-3:C-4:S[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	130.5780	0.000	1	130.5780	0.000	1	132.5778	2.476	6	132.5778	2.476	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	4:3:3:	C[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CCO)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CCO){1|C<4>,2|C<3>}	131.9920	0.000	1	131.9920	0.000	1	133.5015	4.557	2	133.5015	4.557	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:1:1:	4:3:3:	C[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O){1|C<4>,2|C<3>}	135.0110	0.000	1	135.0110	0.000	1	133.5015	4.557	2	133.5015	4.557	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:3:1:	3:2:3:	C[5]-3:C-4:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(CC[6a]2H)(S[5]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[5](C[5]S[5]C)(S[5]C[5])(CHO)	C[5](C[5]S[5]C)(CC[6a]2H)(S[5]C[5]){1|S<1>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[5](C[5]S[5]C)(S[5]C[5])(CHO){1|S<1>}	125.8980	0.000	2	125.8980	0.000	2	125.8980	0.000	2	125.8980	0.000	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:3:1:	3:3:3:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5]){4|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	125.5020	0.556	2	125.5020	0.309	2	125.5020	0.309	2	125.5020	0.309	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:3:1:	3:4:3:	C[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5]){1|C<4>,4|C<3>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C){2|H<1>,3|C<3>}	132.2460	0.000	1	132.2460	0.000	1	132.2460	0.000	1	132.2460	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:3:4:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]2C)(N[5]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(CC[5a]2C)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	130.7945	0.088	2	130.7945	0.008	2	130.7945	0.008	2	130.7945	0.008	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C)	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5]){2|Rh<6>,2|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	129.3150	1.023	4	129.3150	1.047	4	129.3150	1.047	4	129.3150	1.047	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:4:	C[5]-3:C-4:O[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5]){1|H<1>,1|S<1>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]C)(N[5]C[5]H)(CH3){1|S<1>}	135.6665	0.514	2	135.6665	0.264	2	135.6665	0.264	2	135.6665	0.264	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:4:1:	4:3:3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(CC[6a]CH)(N[5]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCO)	C[5](C[5]C[5]C)(CC[6a]CH)(N[5]C[5]){2|C<3>,2|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCO){1|H<1>,3|C<3>}	128.9710	0.000	1	128.9710	0.000	1	128.9710	0.000	1	128.9710	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:4:4:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	132.2795	0.047	2	132.2795	0.002	2	129.0585	11.837	10	129.0585	11.837	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:4:4:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	125.7680	3.216	4	128.2533	11.513	8	129.0585	11.837	10	129.0585	11.837	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:2:	3:3:4:4:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	130.7385	0.231	4	128.2533	11.513	8	129.0585	11.837	10	129.0585	11.837	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	127.2420	0.000	1	127.2420	0.000	1	127.6900	0.068	5	127.4375	5.659	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){1|S<3>,3|H<1>,5|C<3>}	127.8010	0.000	1	127.8010	0.000	1	127.6900	0.068	5	127.4375	5.659	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	127.7790	0.000	1	127.8023	0.010	3	127.6900	0.068	5	127.4375	5.659	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	127.9110	0.000	1	127.8023	0.010	3	127.6900	0.068	5	127.4375	5.659	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,4|H<1>}	127.7170	0.000	1	127.8023	0.010	3	127.6900	0.068	5	127.4375	5.659	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	127.4670	0.000	1	127.4670	0.000	1	127.4670	0.000	1	127.4375	5.659	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	S[4,5]-3:C[6a]-3:C[5]-3:	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3)	C(C[5]C[5]2)(H)3	C[5](S[4,5]B[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3){5|C<3>}	C(C[5]C[5]2)(H)3	C[5](S[4,5]B[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]C){2|F<1>,3|C<4>,4|C<3>}	122.4220	0.000	1	122.4220	0.000	1	122.4220	0.000	1	127.4375	5.659	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:S[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3){4|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C){2|O<1>,3|H<1>,4|C<3>}	131.1610	0.000	1	131.1610	0.000	1	131.1610	0.000	1	127.4375	5.659	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]Re)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|Re<8>,2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]Re)(C[5]C[5]C){3|C<3>,3|C<4>,3|H<1>}	130.5260	0.000	1	130.5260	0.000	1	130.5260	0.000	1	130.5260	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]C)(H){1|C<3>,3|C<4>,4|H<1>}	127.4180	0.000	1	127.4180	0.000	1	127.4180	0.000	1	126.4410	1.576	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H)	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(H){3|C<4>,6|H<1>}	126.8800	0.000	1	126.8800	0.000	1	126.8800	0.000	1	126.4410	1.576	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H)	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	125.0250	0.000	1	125.0250	0.000	1	125.0250	0.000	1	126.4410	1.576	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C)	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	128.0682	0.260	5	128.0682	0.067	5	128.0682	0.067	5	128.0588	0.367	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,7|H<1>}	128.9170	0.000	1	128.9170	0.000	1	128.7453	0.032	3	128.0588	0.367	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	128.6595	0.139	2	128.6595	0.019	2	128.7453	0.032	3	128.0588	0.367	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|Cr<9>,1|C<3>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5])(C[5]C[5]C){1|Cr<9>,3|H<1>,6|C<4>}	127.6190	0.000	1	127.6190	0.000	1	127.6190	0.000	1	128.0588	0.367	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	127.1380	0.000	1	127.1380	0.000	1	127.1380	0.000	1	128.0588	0.367	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	126.9900	0.000	1	126.9900	0.000	1	126.9900	0.000	1	128.0588	0.367	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:P[5]-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C)	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	128.3810	0.000	1	128.3810	0.000	1	128.3810	0.000	1	128.0588	0.367	12	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:2:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO){4|C<3>}	C(C[5]C[5]2)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	126.6010	0.000	1	126.6010	0.000	1	126.6010	0.000	1	126.6010	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:2:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO){3|C<3>,3|H<1>}	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,5|H<1>}	129.8130	0.000	1	129.8130	0.000	1	129.8130	0.000	1	129.8130	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5]C[5]2)2(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	129.6200	0.000	1	129.6200	0.000	1	129.6200	0.000	1	129.6200	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN)	C(C[5]C[5]2)(NCS)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN){1|O<1>,2|C<3>}	C(C[5]C[5]2)(NCS)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,4|H<1>}	128.2710	0.000	1	128.2710	0.000	1	128.2710	0.000	1	128.1663	0.409	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,5|C<3>}	128.7470	0.000	1	128.7470	0.000	1	128.1140	0.801	2	128.1663	0.409	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	127.4810	0.000	1	127.4810	0.000	1	128.1140	0.801	2	128.1663	0.409	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:3:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	129.5450	0.000	1	129.5450	0.000	1	129.5450	0.000	1	129.5450	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:3:1:1:	4:3:4:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	C(C[5]C[5]2)(COO)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	125.9503	2.389	3	125.9503	5.707	3	125.9503	5.707	3	125.9503	5.707	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:3:3:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-3:C-3:H-1:	C[3x5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH)	C(C[5]C[5]2)(COO)2(H)	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH){1|C<4>,2|N<3>,3|C<3>}	C(C[5]C[5]2)(COO)2(H)	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	123.4730	0.000	1	123.4730	0.000	1	123.4730	0.000	1	123.4730	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH){1|O<1>,2|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	128.9110	0.000	1	128.9110	0.000	1	128.9110	0.000	1	126.4430	12.182	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:Si[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH)	C(C[5]Si[5]C[5])(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH){1|Si<4>,3|C<3>}	C(C[5]Si[5]C[5])(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	123.9750	0.000	1	123.9750	0.000	1	123.9750	0.000	1	126.4430	12.182	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH){2|C<3>,4|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){4|C<3>,4|H<1>}	127.9040	0.000	1	127.9040	0.000	1	127.9040	0.000	1	127.9040	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-4:F-1:F-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	C(C[5]C[5]2)(CCHH)(F)2	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	C(C[5]C[5]2)(CCHH)(F)2	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	128.5135	0.359	2	128.5135	0.129	2	128.5135	0.129	2	127.3253	4.299	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,4|C<4>,4|H<1>}	124.9490	0.000	1	124.9490	0.000	1	124.9490	0.000	1	127.3253	4.299	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	3:4:3:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH)	C(C[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH){4|C<3>}	C(C[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	125.8990	0.000	1	125.8990	0.000	1	125.8990	0.000	1	125.8990	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	3:4:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|C<4>,6|H<1>}	129.4980	0.000	1	129.4980	0.000	1	129.4980	0.000	1	129.4980	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:2:	3:3:3:1:	3:3:1:	C-4:C[5]-3:Se[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]Se[5]C)(C[5]C[5]H)(H){1|C<4>}	127.8380	0.867	2	127.8380	0.752	2	127.8380	0.752	2	127.8380	0.752	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:2:	3:3:3:3:	3:3:1:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])2(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	132.8055	1.559	2	132.8055	2.431	2	132.8055	2.431	2	130.3325	22.934	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:2:	3:3:3:3:	3:3:1:	C-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	132.4370	0.000	1	132.4370	0.000	1	127.8595	41.907	2	130.3325	22.934	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:2:	3:3:3:3:	3:3:1:	C-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	123.2820	0.000	1	123.2820	0.000	1	127.8595	41.907	2	130.3325	22.934	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	131.1345	0.876	2	131.1345	0.768	2	131.1345	0.768	2	130.5890	1.276	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:2:	3:3:3:4:	3:3:1:	C-4:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>}	129.4980	0.000	1	129.4980	0.000	1	129.4980	0.000	1	130.5890	1.276	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:2:	3:4:3:3:	3:3:1:	C-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>}	128.0317	3.216	6	128.0317	10.343	6	128.0317	10.343	6	128.0317	10.343	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:2:	3:4:3:3:	4:3:1:	C-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](CC[6a]2C[5])(C[5]C[5]H)(O[5]C[5])	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)(O[5]C[5]){4|H<1>}	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(H){2|H<1>}	131.7110	0.000	1	131.7110	0.000	1	131.7110	0.000	1	131.7110	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:2:3:	C-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:N-3:	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]C[5]C)(O[5]C[5])(NCH)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]C[5]C)(O[5]C[5])(NCH){1|O<1>,2|H<1>}	125.7135	0.482	2	125.7135	0.232	2	125.7135	0.232	2	125.7135	0.232	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(H){2|C<3>}	126.2122	1.160	4	126.2122	1.345	4	126.0687	0.871	6	124.9763	4.392	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(H){2|C<3>}	125.7815	0.268	2	125.7815	0.072	2	126.0687	0.871	6	124.9763	4.392	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	123.3720	2.700	2	123.3720	7.289	2	123.3720	7.289	2	124.9763	4.392	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	121.6310	0.000	1	121.6310	0.000	1	121.6310	0.000	1	124.9763	4.392	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C-4:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	125.4597	0.757	4	125.4597	0.574	4	125.7605	0.657	6	126.5401	4.802	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C-4:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	126.3620	0.690	2	126.3620	0.476	2	125.7605	0.657	6	126.5401	4.802	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	131.2180	0.000	1	131.2180	0.000	1	131.2180	0.000	1	126.5401	4.802	7	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|C<4>}	128.2585	0.636	2	128.2585	0.404	2	128.2585	0.404	2	128.2585	0.404	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]O[5]N){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(O){1|N<3>}	127.8860	1.045	2	127.8860	1.092	2	125.1517	12.110	6	125.1517	12.110	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O)	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(O){1|O<2>,2|H<1>}	123.7845	3.513	4	123.7845	12.343	4	125.1517	12.110	6	125.1517	12.110	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	4:3:2:	C-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH){1|H<1>,1|O<1>}	130.5675	3.422	2	130.5675	11.708	2	128.8480	13.263	6	128.8480	13.263	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:1:	4:3:2:	C-4:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](CC[6a]C[5]H)(C[5]C[5]O)2	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	C[5](CC[6a]C[5]H)(C[5]C[5]O)2{4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	127.9882	3.905	4	127.9882	15.245	4	128.8480	13.263	6	128.8480	13.263	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2{3|H<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	123.2470	0.000	1	123.2470	0.000	1	123.2470	0.000	1	134.1502	19.883	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:O-3:	C[5]-3:N[5]-3:H-1:	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(OCu2)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>}	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(OCu2)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Cu<5>}	135.6405	0.791	6	135.6405	0.625	6	135.6405	0.625	6	134.1502	19.883	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[6]-3:C[6a]-3:O-3:	C[5]-3:N[5]-3:H-1:	C[5](CC[6a]C[6]O)(N[5]N[5]Cu)(C[5]N[5]H)	C(C[5]C[5]N[5])(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu2)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](CC[6a]C[6]O)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>}	C(C[5]C[5]N[5])(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu2)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Cu<5>}	136.1120	0.000	1	136.1120	0.000	1	136.1120	0.000	1	134.1502	19.883	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:3:3:3:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2{3|H<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	127.6210	0.000	1	127.6210	0.000	1	127.6210	0.000	1	127.6210	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	3:4:3:3:	3:2:1:	C-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-2:H-1:	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]H)	C(C[5]C[5]N[5])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[5](C[5]N[5]C)(C[5]C[5])(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]H){1|C<4>}	C(C[5]C[5]N[5])(C[5]C[5]2Ru)(C[6a]C[6a]2)2	C[5](C[5]N[5]C)(C[5]C[5])(H){1|C<4>,1|H<1>}	129.9920	0.000	1	129.9920	0.000	1	129.9920	0.000	1	129.9920	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(H)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(H){2|C<3>}	127.6065	0.395	2	127.6065	0.156	2	127.6065	0.156	2	125.4350	14.224	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	121.0920	0.000	1	121.0920	0.000	1	121.0920	0.000	1	125.4350	14.224	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	4:3:3:1:	3:3:3:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(CCH)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	124.2310	0.793	2	124.2310	0.629	2	124.2310	0.629	2	124.2310	0.629	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	4:3:3:1:	3:3:4:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	130.5880	0.000	1	130.5880	0.000	1	130.5880	0.000	1	130.5880	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	4:3:3:3:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](CC[6a]2C[5])(C[5]C[5]H)2	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]C)2(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)2{1|C<4>,2|H<1>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]C)2(H){3|H<1>}	125.5990	0.000	1	125.5990	0.000	1	125.5990	0.000	1	125.5990	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	4:3:3:3:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](CC[6a]2C[5])(C[5]C[5]H)2	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)2{1|C<4>,2|H<1>}	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	125.8370	0.000	1	125.8370	0.000	1	125.8370	0.000	1	125.8370	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	5:3:4:4:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[3x3,4,3x5,14x6]-5:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2{3|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	124.8400	0.000	1	124.8400	0.000	1	124.8400	0.000	1	124.8400	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:3:	5:3:4:4:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[3x3,4,3x5,14x6]-5:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](CC[3x3,4,3x5,14x6]CC)(C[5]C[5]H)2{3|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|H<1>}	128.0760	0.000	1	128.0760	0.000	1	128.0760	0.000	1	128.0760	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]S[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(S[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]S[5]C)(CH3){3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(S[5]C[5,5])(CH3){1|Zr<11>,2|C<4>}	126.3690	0.000	1	126.3690	0.000	1	126.3690	0.000	1	126.3690	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	126.0910	0.000	1	126.0910	0.000	1	126.0910	0.000	1	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3)	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[5]C[5,5,6,6]C)(C[5]N[5,5]O)(H)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[5]C[5,5,6,6]C)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	129.4040	0.000	1	129.4040	0.000	1	129.4040	0.000	1	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3){1|O<1>,2|O<2>,3|C<4>}	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H){2|C<4>,2|O<2>}	126.3440	0.000	1	126.3440	0.000	1	126.3440	0.000	1	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H){4|C<3>}	127.4390	0.000	1	127.4390	0.000	1	127.4390	0.000	1	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){2|C<4>}	127.8410	0.000	1	127.8410	0.000	1	129.3683	1.750	3	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[5]O[5]O)(H){1|C<4>,1|O<2>}	130.1320	0.006	2	130.1320	0.000	2	129.3683	1.750	3	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	125.7420	0.000	1	125.7420	0.000	1	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	128.1100	0.000	1	127.6520	0.420	2	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,2|C<3>}	127.1940	0.000	1	127.6520	0.420	2	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>}	126.8490	0.000	1	126.8490	0.000	1	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H){5|C<3>}	128.7090	0.436	2	128.7090	0.190	2	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	128.5980	0.000	1	128.6765	0.012	2	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>}	128.7550	0.000	1	128.6765	0.012	2	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]O[5]O)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]O[5]O)(H){2|C<4>}	127.8630	0.000	1	127.8630	0.000	1	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	128.9663	0.342	4	128.9663	0.117	4	128.1842	1.073	13	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	C(C[5]C[5]2)(H)3	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>}	126.3520	0.163	2	126.3520	0.026	2	127.7014	0.960	8	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	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>}	127.8970	0.000	1	128.2608	0.106	4	127.7014	0.960	8	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	C(C[5]C[5]2)(H)3	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>}	128.3820	0.266	3	128.2608	0.106	4	127.7014	0.960	8	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	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>}	128.7620	0.000	1	128.7620	0.000	1	127.7014	0.960	8	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3){1|C<4>,4|C<3>}	C(C[5]C[5]2)(H)3	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>}	127.1020	0.000	1	127.1020	0.000	1	127.7014	0.960	8	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	125.9680	1.004	3	125.9680	1.009	3	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	127.1670	0.262	2	127.1670	0.068	2	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H){2|C<4>}	128.9020	0.000	1	128.9020	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	129.5470	0.000	1	129.5470	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	128.2380	0.000	1	128.2380	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	127.5710	0.000	1	127.5710	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]S[5]C)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3){2|O<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]S[5]C)(H){1|C<3>,1|H<1>,2|O<1>}	124.4340	0.000	1	124.4340	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3){1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){2|C<4>}	129.7600	0.000	1	129.7600	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	126.9180	0.000	1	126.9180	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]TiH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]TiH)(C[5]C[5]H)(CH3){1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Ti<9>,1|H<1>}	127.9840	0.000	1	127.9840	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]B)(H)	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<3>,1|C<2>,1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]B)(H){1|C<2>,1|C<3>,2|H<1>}	127.0880	0.000	1	127.0880	0.000	1	127.3343	2.379	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<3>,3|H<1>}	126.2000	0.000	1	126.2000	0.000	1	126.2000	0.000	1	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	N[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]BY)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]BY)(C[5]C[5]H)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Y<18>,1|B<5>}	130.0705	0.484	6	130.0705	0.234	6	130.7581	1.462	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	N[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]CY)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]CY)(C[5]C[5]H)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Y<15>,1|C<4>}	130.5623	0.370	6	130.5623	0.137	6	130.7581	1.462	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	N[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]RhC)(C[5]C[5]H)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]RhC)(C[5]C[5]H)(CH3){1|C<4>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|C<4>}	133.4080	0.188	2	133.4080	0.035	2	130.7581	1.462	14	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:Br-1:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH)	C(C[5]C[5]S[5])(Br)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH){2|C<3>}	C(C[5]C[5]S[5])(Br)(H)2	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>}	129.2140	0.000	1	129.2140	0.000	1	129.2140	0.000	1	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:H-1:	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]C)(H)	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(CH3){1|C<3>,1|S<2>}	C(C[5]C[5]S[5])(H)3	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]C)(H){2|C<3>,2|O<1>}	132.0965	0.110	2	132.0965	0.012	2	132.0965	0.012	2	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	Si[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3)	C(C[5]Si[5]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	C(C[5]Si[5]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H){1|H<1>,4|C<3>}	125.0000	1.003	2	125.0000	1.005	2	125.0000	1.005	2	128.5208	3.961	62	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	128.4465	0.139	2	128.4465	0.019	2	128.7548	1.808	4	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.0630	2.242	2	129.0630	5.024	2	128.7548	1.808	4	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3)	C(C[5]C[5]2)(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3){1|S<4>,4|C<3>}	C(C[5]C[5]2)(F)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	128.0290	0.000	1	128.0290	0.000	1	128.0290	0.000	1	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:O-2:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(OC)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(OC){1|C<4>,2|C<3>,2|H<1>}	127.0975	0.094	2	127.0975	0.009	2	127.0975	0.009	2	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3){1|C<4>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN){1|N<3>,2|C<3>,2|H<1>}	129.0020	0.000	1	129.0020	0.000	1	129.0020	0.000	1	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(CN)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3){5|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(CN){2|C<3>}	127.7827	0.197	3	127.7827	0.039	3	127.7827	0.039	3	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){2|C<4>,2|H<1>}	126.1280	0.000	1	126.1280	0.000	1	127.7230	2.247	7	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){4|H<1>}	127.2610	0.000	1	127.2610	0.000	1	127.7230	2.247	7	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(OSi)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(OSi){4|H<1>}	126.9180	0.000	1	126.9180	0.000	1	127.7230	2.247	7	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,2|C<3>}	127.4410	0.000	1	127.6417	0.204	3	127.7230	2.247	7	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(OC){1|C<3>,3|H<1>}	127.7420	0.590	2	127.6417	0.204	3	127.7230	2.247	7	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<4>,1|H<1>,1|O<2>}	130.8290	0.000	1	130.8290	0.000	1	127.7230	2.247	7	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a])	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3){1|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(SC[6a]){2|C<4>}	128.6430	0.000	1	128.6430	0.000	1	128.6430	0.000	1	128.0156	1.388	19	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3){1|C<4>,5|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	128.6550	0.000	1	128.6550	0.000	1	128.6550	0.000	1	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3){1|C<4>,6|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	122.8615	1.572	2	122.8615	2.471	2	122.8615	2.471	2	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	130.1780	0.000	1	130.1780	0.000	1	130.1780	0.000	1	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](P[5,6]C[5,6]P[5,6])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3){1|P<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5](P[5,6]C[5,6]P[5,6])(C[5]C[5,6]C)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	125.4880	0.000	1	125.4880	0.000	1	125.4880	0.000	1	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS){2|C<3>,3|H<1>}	129.1490	0.000	1	129.1490	0.000	1	129.1490	0.000	1	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCO)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCO){1|C<3>,2|H<1>}	129.9540	0.000	1	129.9540	0.000	1	129.9540	0.000	1	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,7|H<1>}	128.6290	0.000	1	128.6290	0.000	1	128.6290	0.000	1	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	126.7050	0.000	1	126.7050	0.000	1	126.7050	0.000	1	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	N[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO)	C[5](N[5]O[5]HH)(C[5]C[5]N)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]O[5])(C[5]N[5]C)(NOO){1|C<3>,1|C<4>,2|H<1>}	129.8920	0.000	1	129.8920	0.000	1	129.8920	0.000	1	127.4373	8.265	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]C)2(CH3)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){2|Fe<6>,2|C<4>,2|S<3>}	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]C)2(CH3){1|Ga<6>,2|C<4>}	125.4365	0.896	2	125.7527	0.477	4	125.7125	0.218	10	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]C)2(CH3)	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){3|C<4>}	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]C)2(CH3){1|Ga<3>,2|C<4>}	126.0690	0.477	2	125.7527	0.477	4	125.7125	0.218	10	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]C)2(CH3)	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Rh<8>,2|C<4>}	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]C)2(CH3){1|In<3>,2|C<4>}	125.6415	0.405	4	125.6857	0.104	6	125.7125	0.218	10	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]C)2(CH3)	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Ru<8>,2|C<4>}	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]C)2(CH3){1|In<3>,2|C<4>}	125.7740	0.062	2	125.6857	0.104	6	125.7125	0.218	10	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[4,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CH3)	C(C[5]C[4,5]C[5])(H)3	C[5](C[5]C[4,5]C)2(CH3)	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CH3){1|Si<4>,2|C<3>,2|C<4>}	C(C[5]C[4,5]C[5])(H)3	C[5](C[5]C[4,5]C)2(CH3){1|Si<4>,3|C<4>}	124.8670	0.000	1	124.8670	0.000	1	124.8670	0.000	1	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<3>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|P<3>,2|C<4>}	127.1965	0.008	2	126.8182	0.279	10	127.1058	0.894	15	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|P<4>,2|C<4>}	126.7236	0.554	8	126.8182	0.279	10	127.1058	0.894	15	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|As<3>,1|Si<4>,1|C<4>}	128.8680	0.000	2	128.8680	0.000	2	127.1058	0.894	15	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.5170	0.000	1	125.5170	0.000	1	127.1058	0.894	15	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3)	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)2(CH3){1|Si<4>,1|C<4>,1|P<3>}	127.5760	0.000	2	127.5760	0.000	2	127.1058	0.894	15	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)2(CH3)	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)2(CH3){2|Se<2>,1|C<4>}	129.5370	0.000	1	129.5370	0.000	1	127.5385	7.988	2	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3)	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]P[5,6]C)(CH3){1|C<3>,2|C<4>}	125.5400	0.000	1	125.5400	0.000	1	127.5385	7.988	2	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]SnC)(C[5]C[5,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]SnC)(C[5]C[5,5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]C)(CH3){2|Sn<4>,2|C<3>,2|C<4>}	126.6203	0.212	3	126.6203	0.045	3	126.6203	0.045	3	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	126.2150	0.000	1	126.2150	0.000	1	126.1475	0.009	2	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	126.0800	0.000	1	126.0800	0.000	1	126.1475	0.009	2	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]AlSi)(C[5]C[5,6a]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]AlSi)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,2|C<3>}	123.9340	0.441	2	123.9340	0.195	2	126.3184	2.437	8	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	126.9065	0.213	2	126.9065	0.045	2	126.3184	2.437	8	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	127.9820	0.000	1	127.9820	0.000	1	126.3184	2.437	8	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	126.9613	0.612	3	126.9613	0.375	3	126.3184	2.437	8	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|B<6>,2|C<4>}	127.8289	0.600	8	127.8289	0.360	8	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]O)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,2|O<2>}	128.0660	0.000	1	128.0660	0.000	1	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	125.6980	0.000	2	125.6980	0.000	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<3>,2|C<4>}	125.9545	0.942	4	126.5228	0.494	16	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<4>,2|C<4>}	126.7122	0.525	12	126.5228	0.494	16	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Al<6>,1|C<4>,1|H<1>}	127.9415	0.289	2	127.9415	0.084	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|As<3>,2|C<4>}	126.9772	1.761	4	126.9772	3.100	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|As<3>,1|C<4>,1|H<1>}	127.6707	0.913	6	127.6707	0.834	6	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|B<3>,2|C<4>}	127.4337	0.668	12	127.4337	0.447	12	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,2|C<4>}	127.8882	1.027	8	128.0404	0.924	10	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){3|C<4>}	128.6490	0.037	2	128.0404	0.924	10	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	126.1710	0.000	1	126.1710	0.000	1	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|P<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<4>,1|H<1>,1|P<4>}	128.6130	0.000	1	126.8872	2.447	6	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){2|C<4>,2|H<1>}	125.2280	0.699	2	126.8872	2.447	6	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	127.4180	1.100	3	126.8872	2.447	6	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|N<3>,2|C<4>}	128.3125	0.347	2	128.3125	0.121	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|O<3>,2|C<4>}	128.6865	0.426	4	128.6865	0.181	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	128.1162	0.742	4	127.9458	0.649	11	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	127.8484	0.881	7	127.9458	0.649	11	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]DyC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]DyC)(C[5]C[5]C)(CH3){1|C<4>,1|H<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Dy<15>,1|C<5>,1|H<2>}	123.5995	0.542	2	123.5995	0.294	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]DyH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]DyH)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Dy<15>,1|C<5>,1|H<2>}	126.8505	0.579	2	126.8505	0.335	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<2>,2|C<4>}	127.6968	1.111	18	127.6796	1.442	38	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	127.5662	1.504	12	127.6796	1.442	38	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	127.8107	1.014	8	127.6796	1.442	38	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,1|Si<4>,1|C<4>}	124.4875	0.469	4	124.4875	0.220	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<5>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|C<5>,2|H<1>}	127.9650	0.000	1	128.1910	0.102	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>}	128.4170	0.000	1	128.1910	0.102	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]N)(CH3){1|C<3>,2|H<1>}	128.1530	0.000	1	128.1530	0.000	1	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|O<2>,2|H<1>}	127.6780	0.000	1	127.6780	0.000	1	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HgSi)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]HgSi)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Hg<2>,1|Si<4>,1|C<4>}	126.3610	0.592	22	126.3610	0.350	22	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<2>,2|C<4>}	126.7445	0.898	6	127.2599	1.593	10	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<4>,2|C<4>}	128.0330	1.451	4	127.2599	1.593	10	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|In<4>,1|Si<4>,1|C<4>}	125.0065	0.329	4	125.0065	0.108	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ir<6>,1|C<3>,1|C<4>}	126.9790	0.000	1	127.3350	0.280	3	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]IrC)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ir<7>,1|C<3>,1|C<4>}	127.5130	0.608	2	127.3350	0.280	3	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]LuC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]LuC)(C[5]C[5]C)(CH3){1|C<4>,1|H<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Lu<15>,1|C<5>,1|H<2>}	124.7350	0.273	2	124.7350	0.074	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]LuH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]LuH)(C[5]C[5]C)(CH3){1|C<4>,1|C<5>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Lu<15>,1|C<5>,1|H<2>}	126.9500	1.584	2	126.9500	2.509	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	128.6205	0.391	2	128.8814	0.272	34	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	128.8188	0.624	10	128.8814	0.272	34	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	128.9214	0.594	8	128.8814	0.272	34	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	128.9404	0.448	14	128.8814	0.272	34	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	128.7450	0.840	2	128.7450	0.706	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	128.8870	0.182	2	128.2117	0.624	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	127.5365	0.121	2	128.2117	0.624	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Sb<5>,1|Si<5>,1|C<4>}	128.4310	0.000	2	128.4310	0.000	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SbH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SbH)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Sb<3>,1|C<4>,1|H<1>}	127.9662	0.759	6	127.9662	0.576	6	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SbSi)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SbSi)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Sb<5>,1|Si<5>,1|C<4>}	122.5580	0.000	2	122.5580	0.000	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<3>,2|C<4>}	128.5093	0.280	6	127.0441	2.166	16	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	126.1649	1.130	10	127.0441	2.166	16	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	126.6278	0.247	9	126.6278	0.061	9	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	126.3651	1.064	21	126.3530	1.280	23	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Zn<5>,2|C<4>}	126.2260	2.342	2	126.3530	1.280	23	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	128.9340	0.553	2	128.9340	0.306	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	128.5750	0.027	2	128.5750	0.001	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<3>,2|C<4>}	128.7550	0.454	2	128.7550	0.206	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	127.9510	0.697	2	127.8129	0.463	14	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	127.8480	1.118	4	127.8129	0.463	14	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	127.7609	0.496	8	127.8129	0.463	14	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>}	127.5200	0.877	2	127.5200	0.769	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,1|N<3>}	129.4310	0.000	1	129.4310	0.000	1	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|O<2>}	128.0330	0.000	1	128.0330	0.000	1	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CY)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]CY)(C[5]C[5]C)(CH3){1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Y<14>,1|C<5>}	126.5410	0.209	2	126.5410	0.044	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	128.9560	0.000	1	128.8433	0.018	3	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){3|H<1>}	128.7870	0.127	2	128.8433	0.018	3	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]SmC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]SmC)(C[5]C[5]C)(CH3){1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|Sm<14>,1|C<5>}	126.2810	0.072	2	126.2810	0.005	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]TiH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]TiH)(C[5]C[5]C)(CH3){1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|Ti<9>,1|H<1>}	126.8750	0.000	1	126.8750	0.000	1	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<4>,2|C<4>}	127.3650	0.612	2	127.3650	0.375	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|P<3>,2|C<4>}	128.4590	0.513	2	128.4590	0.264	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]P[5]PbC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5]P[5]PbC)(C[5]C[5]C)(CH3){1|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pb<4>,1|C<4>}	120.2985	0.462	2	120.2985	0.213	2	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<5>,2|C<4>}	127.6345	0.653	4	127.6345	0.427	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	128.1120	0.000	1	128.1120	0.000	1	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	126.6290	0.654	4	126.8316	0.368	14	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	126.5120	1.079	2	126.8316	0.368	14	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	126.7770	0.642	2	126.8316	0.368	14	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	126.9788	0.105	4	126.8316	0.368	14	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,2|C<4>}	127.3165	0.978	2	126.8316	0.368	14	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){1|Ir<6>,2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<4>,1|C<4>,1|H<1>}	127.4955	0.832	2	127.9795	0.598	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]C)2(CH3){1|Si<3>,1|C<4>,1|H<1>}	128.4635	0.405	2	127.9795	0.598	4	127.3159	2.078	337	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP)	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	129.1270	0.000	1	129.1270	0.000	1	129.1270	0.000	1	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	P[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]Co2)(C[5]C[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5]Co2)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){2|Co<7>,1|C<4>}	126.5910	0.033	2	126.5910	0.001	2	128.9048	2.336	10	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	P[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]RhC)(C[5]C[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5]RhC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Rh<8>,2|C<4>}	128.2100	0.417	2	128.2100	0.174	2	128.9048	2.336	10	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	P[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5a]C[5]Pd)(C[5]C[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[5a]C[5]Pd)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	130.3955	0.192	4	130.3955	0.037	4	128.9048	2.336	10	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	P[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]C)(CH3)	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C(C[5]C[5]P[5])(H)3	C[5](C[5]C[5]C)(C[5]P[5]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	128.9320	0.413	2	128.9320	0.171	2	128.9048	2.336	10	127.2750	2.143	389	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(H){1|C<3>,1|C<4>}	127.6980	0.000	1	127.6980	0.000	1	127.6980	0.000	1	127.6980	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:Cl-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH)	C(C[5]C[5]2)(Cl)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH){1|S<4>,2|H<1>,4|C<3>}	C(C[5]C[5]2)(Cl)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C){1|S<4>,3|C<3>,3|H<1>}	128.4040	0.000	1	128.4040	0.000	1	128.4040	0.000	1	125.7100	14.515	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C-3:P[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](CC[5a]C[6a])(P[5]C[5]CS)(C[5]C[5]C)	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](CC[5a]C[6a])(P[5]C[5]CS)(C[5]C[5]C){1|C<4>,2|C<3>}	123.0160	0.000	1	123.0160	0.000	1	123.0160	0.000	1	125.7100	14.515	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	128.6223	0.844	3	128.6223	0.713	3	128.6223	0.713	3	128.6223	0.713	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H){1|C<4>,2|H<1>}	128.5380	0.000	1	128.5380	0.000	1	128.5380	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[4,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CH3)	C(C[5]C[4,5]C[5])(H)3	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C(C[5]C[4,5]C[5])(H)3	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H){1|H<1>,1|N<3>,2|C<4>}	127.0520	0.000	1	127.0520	0.000	1	126.4650	0.689	2	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[4,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]H)(CH3)	C(C[5]C[4,5]C[5])(H)3	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H)	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]H)(CH3){2|C<4>,4|H<1>}	C(C[5]C[4,5]C[5])(H)3	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H){1|S<4>,3|C<4>}	125.8780	0.000	1	125.8780	0.000	1	126.4650	0.689	2	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]C)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5]C[5,6,6]HH)(C[5]C[5,3x6]C)(H){1|H<1>,3|C<4>}	128.3865	0.062	2	128.3865	0.004	2	128.3865	0.004	2	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	126.6660	0.000	1	126.6660	0.000	1	126.6660	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3)	C(C[5]C[5,5,6]C[5])(H)3	C[5](P[5]C[5,5,6]C[6a]Pt)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3){1|Pt<4>,1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5,6]C[5])(H)3	C[5](P[5]C[5,5,6]C[6a]Pt)(C[5]C[5,5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	123.3910	0.000	1	123.3910	0.000	1	123.3910	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3){3|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C)(H){3|C<4>,4|H<1>}	127.5460	0.000	1	127.5460	0.000	1	126.1220	1.418	4	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3){2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]C)(H){1|H<1>,4|C<4>}	125.2135	0.648	2	125.2135	0.420	2	126.1220	1.418	4	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.5150	0.000	1	126.5150	0.000	1	126.1220	1.418	4	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>,3|O<2>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5]C)(H){1|H<1>,3|C<4>}	127.1330	0.000	1	127.1330	0.000	1	127.7715	0.815	2	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,2|O<2>}	128.4100	0.000	1	128.4100	0.000	1	127.7715	0.815	2	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](P[5]C[5,5]C[6a]W)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|W<6>,4|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](P[5]C[5,5]C[6a]W)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,4|C<3>}	122.6880	0.000	1	122.6880	0.000	1	122.6880	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6,6]C)(H)	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6]C[5,6]O[5,6]H)(C[5]C[5,6,6]C)(H){1|C<3>,4|C<4>}	130.6280	0.000	1	130.6280	0.000	1	130.6280	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]C)(H){2|O<2>,4|C<4>,4|H<1>}	128.5585	0.654	2	128.5585	0.428	2	129.1422	0.409	5	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,5|H<1>}	129.4410	0.154	2	129.5313	0.036	3	129.1422	0.409	5	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){2|O<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	129.7120	0.000	1	129.5313	0.036	3	129.1422	0.409	5	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|O<2>,2|C<3>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	127.9720	0.000	1	127.9720	0.000	1	128.4822	1.302	8	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	128.2985	0.837	2	128.2985	0.700	2	128.4822	1.302	8	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,2|C<4>,2|H<1>}	128.5290	0.000	1	129.5177	0.746	3	128.4822	1.302	8	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	130.1250	0.000	1	129.5177	0.746	3	128.4822	1.302	8	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	129.8990	0.000	1	129.5177	0.746	3	128.4822	1.302	8	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	127.3680	0.948	2	127.3680	0.898	2	128.4822	1.302	8	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){2|C<4>,2|H<1>}	127.9820	0.000	1	127.9820	0.000	1	127.4960	0.472	2	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,5|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	127.0100	0.000	1	127.0100	0.000	1	127.4960	0.472	2	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](P[5]C[5,6]C[6a]W)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3){1|W<6>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	C[5](P[5]C[5,6]C[6a]W)(C[5]C[5,6]C)(H){1|C<4>,4|C<3>}	122.0070	0.000	1	122.0070	0.000	1	122.0070	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:F-1:F-1:F-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3)	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	127.3080	0.000	1	127.3080	0.000	1	127.3080	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(H){3|H<1>,4|C<4>}	127.2420	0.000	1	127.2420	0.000	1	127.2420	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	126.8790	0.000	1	126.8790	0.000	1	126.8790	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	128.2450	0.000	1	128.2450	0.000	1	127.9250	0.140	3	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H){1|C<3>,3|C<4>,3|H<1>}	127.7650	0.355	2	127.7650	0.126	2	127.9250	0.140	3	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|H<1>}	126.1582	0.906	4	126.1582	0.822	4	126.6772	3.442	24	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){2|H<1>,3|C<4>}	127.0780	0.000	1	127.0780	0.000	1	126.6772	3.442	24	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]H)(CH3){1|Cr<9>,1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){2|H<1>,3|C<4>}	128.3150	0.000	1	128.3150	0.000	1	126.6772	3.442	24	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){1|O<2>,3|C<4>,3|H<1>}	129.1972	1.284	6	129.1972	1.650	6	126.6772	3.442	24	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	124.4620	0.158	3	124.4620	0.025	3	126.6772	3.442	24	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]PdH)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]PdH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	125.5584	0.606	7	125.7397	0.469	9	126.6772	3.442	24	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]PdH)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]PdH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){1|Pd<6>,2|C<4>,2|H<1>}	126.8820	0.000	1	125.7397	0.469	9	126.6772	3.442	24	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]PdH)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]PdH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H){1|Pd<8>,2|C<4>,2|H<1>}	125.8660	0.000	1	125.7397	0.469	9	126.6772	3.442	24	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3){2|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	125.5040	0.089	3	125.5040	0.008	3	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|O<2>}	128.1350	0.000	1	128.1350	0.000	1	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	125.5640	0.000	2	125.8290	0.211	3	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	126.3590	0.000	1	125.8290	0.211	3	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3){4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	126.8560	0.000	1	126.8560	0.000	1	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	128.3610	0.000	1	127.0885	3.239	2	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	125.8160	0.000	1	127.0885	3.239	2	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	127.2620	0.000	1	127.2620	0.000	1	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	128.1440	0.000	1	128.1440	0.000	1	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|O<2>}	128.1225	0.221	2	128.1225	0.049	2	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	127.3510	0.000	1	127.3510	0.000	1	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3){2|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){3|C<3>}	127.1650	0.414	2	127.1650	0.172	2	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]BH)(C[5]C[5]C)(H)	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]BH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	125.9790	0.000	1	125.9790	0.000	1	126.8043	1.205	18	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3)	C(C[5]C[5]2)(H)3	C[5](S[5]C[5]OO)(C[5]C[5]C)(Br)	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3){2|H<1>,2|O<1>}	C(C[5]C[5]2)(H)3	C[5](S[5]C[5]OO)(C[5]C[5]C)(Br){1|N<3>,3|H<1>}	127.6600	0.000	1	127.6600	0.000	1	127.6600	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](S[5]C[5,6]OO)(C[5]C[5,6]H)(CH3)	C(C[5]C[5]S[5])(H)3	C[5](C[5,6]C[5,6]2H)(C[5]S[5]C)(H)	C[5](S[5]C[5,6]OO)(C[5]C[5,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]S[5])(H)3	C[5](C[5,6]C[5,6]2H)(C[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>}	131.8630	0.000	1	131.8630	0.000	1	131.8630	0.000	1	127.1564	3.335	81	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC){1|O<2>,3|H<1>}	127.4280	0.000	1	127.4280	0.000	1	127.4280	0.000	1	127.0460	0.292	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]C)(OSi)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,4|H<1>}	126.6640	0.000	1	126.6640	0.000	1	126.6640	0.000	1	127.0460	0.292	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	B[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3)	C(C[5]B[5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C)	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3){1|C<4>,2|H<1>,7|C<3>}	C(C[5]B[5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C){5|H<1>,6|C<3>}	124.0250	0.115	2	124.0250	0.013	2	124.0250	0.013	2	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[3x5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3)	C(C[5]C[3x5]C[5])(H)3	C[5](C[5]C[3x5]HO)(C[5]C[3x5]C)(CCC)	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3){1|B<3>,1|H<1>,3|C<4>,3|O<2>}	C(C[5]C[3x5]C[5])(H)3	C[5](C[5]C[3x5]HO)(C[5]C[3x5]C)(CCC){2|C<4>,2|O<2>}	126.7830	0.000	1	126.7830	0.000	1	126.7830	0.000	1	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CHO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CHO){1|H<1>,3|C<4>}	129.4430	0.000	1	129.4430	0.000	1	129.4430	0.000	1	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(CHO)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(CHO){2|H<1>,4|C<3>}	128.9610	0.000	1	128.9610	0.000	1	130.8334	2.747	8	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(COO)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(COO){2|H<1>,4|C<3>}	130.0600	1.025	2	130.0600	1.051	2	130.8334	2.747	8	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O){1|C<2>,1|C<3>,2|H<1>}	130.4100	0.000	1	130.4100	0.000	1	130.8334	2.747	8	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(COO){2|C<2>,2|C<3>,2|H<1>}	132.1560	0.000	1	132.1560	0.000	1	130.8334	2.747	8	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO){4|H<1>}	129.2430	0.000	1	129.2430	0.000	1	130.8334	2.747	8	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO){2|C<2>,2|C<3>}	132.8885	0.754	2	132.8885	0.569	2	130.8334	2.747	8	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	128.7990	0.000	1	128.7990	0.000	1	131.1985	11.515	2	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	133.5980	0.000	1	133.5980	0.000	1	131.1985	11.515	2	129.5243	9.083	14	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3)	C(C[5]C[3,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	C(C[5]C[3,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3){1|O<2>,1|W<6>,4|C<4>}	127.7975	0.042	2	127.7975	0.002	2	127.8307	0.004	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3)	C(C[5]C[3,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3)	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3){1|N<3>,1|W<6>,3|C<4>}	C(C[5]C[3,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|P<4>,2|C<4>}	127.8970	0.000	1	127.8970	0.000	1	127.8307	0.004	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]C)(CH3)	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]C)(CH3){1|Hf<11>,2|N<3>,3|H<1>}	C(C[5]C[3,5]C[5])(H)3	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3){1|Hf<11>,1|C<5>,1|H<1>,1|N<3>}	128.5300	0.000	1	128.5300	0.000	1	128.5300	0.000	1	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	129.1890	0.000	1	128.0840	1.885	3	128.0840	1.885	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	128.5160	0.000	1	128.0840	1.885	3	128.0840	1.885	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[4,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	C(C[5]C[4,5,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	126.5470	0.000	1	128.0840	1.885	3	128.0840	1.885	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	124.8610	0.000	1	125.2623	0.458	3	125.2623	0.458	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	126.0440	0.000	1	125.2623	0.458	3	125.2623	0.458	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[4,5,6]C[4,5,5,6,6]P[4,5,3x6]C)(C[5]C[5,5,6,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	124.8820	0.000	1	125.2623	0.458	3	125.2623	0.458	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3)	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|S<2>,1|W<6>,2|H<1>}	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|S<2>,1|W<6>,2|H<1>}	127.4663	0.486	4	127.4663	0.237	4	127.4663	0.237	4	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	126.1220	0.483	3	126.1220	0.233	3	126.1220	0.233	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]C)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]C)(SiC3){1|C<3>,1|H<1>,2|C<4>}	129.2690	0.000	1	129.2690	0.000	1	129.2690	0.000	1	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|P<4>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3){1|N<3>,1|W<6>,3|C<4>}	127.2690	0.000	1	127.2690	0.000	1	126.9697	0.144	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3){1|O<2>,1|W<6>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	126.8200	0.393	2	126.8200	0.155	2	126.9697	0.144	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	127.3005	0.822	4	127.3005	0.675	4	127.3005	0.675	4	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,3|C<3>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	124.9680	0.000	1	124.9680	0.000	1	127.7299	1.717	11	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Hf<9>,2|C<4>}	128.2540	1.055	2	128.2540	1.113	2	127.7299	1.717	11	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Ti<8>,2|C<4>}	128.4530	0.000	1	128.4530	0.000	1	127.7299	1.717	11	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Zr<9>,2|C<4>}	128.6675	0.491	2	128.6675	0.242	2	127.7299	1.717	11	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	128.3370	0.100	3	128.3370	0.010	3	127.7299	1.717	11	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CW)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3){1|W<6>,1|W<8>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CW)(C[5]C[5,5]C)(CH3){1|P<4>,3|C<4>}	125.8430	0.000	1	125.8430	0.000	1	127.7299	1.717	11	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3){1|H<1>,3|C<4>,3|O<2>}	C(C[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH){2|C<4>,2|O<2>}	126.9110	0.000	1	126.9110	0.000	1	127.7299	1.717	11	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	127.1633	0.194	3	127.1633	0.038	3	127.7118	0.477	6	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	128.2603	0.502	3	128.2603	0.252	3	127.7118	0.477	6	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	127.1342	0.861	4	127.1342	0.742	4	127.1342	0.742	4	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3){2|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH){2|C<4>,2|O<2>}	128.5120	0.000	1	128.5120	0.000	1	128.5120	0.000	1	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:Br-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH)	C(C[5]C[5]2)(Br)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH){2|H<1>,2|O<1>}	C(C[5]C[5]2)(Br)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH){2|H<1>,2|O<1>}	126.1548	0.080	4	126.1548	0.006	4	126.1548	0.006	4	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3){1|Hf<11>,1|C<5>,1|H<1>,1|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]C)(CH3){1|Hf<11>,2|N<3>,3|H<1>}	127.9410	0.000	1	127.9410	0.000	1	127.9410	0.000	1	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,3|C<3>}	126.7800	0.000	1	126.7800	0.000	1	127.7196	1.475	12	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Hf<9>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	128.0950	1.220	2	128.0950	1.490	2	127.7196	1.475	12	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Ti<8>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	127.1750	0.000	1	127.1750	0.000	1	127.7196	1.475	12	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Zr<9>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	127.0255	0.941	2	127.0255	0.886	2	127.7196	1.475	12	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	126.8200	0.413	3	126.8200	0.170	3	127.7196	1.475	12	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CW)(C[5]C[5,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]CW)(C[5]C[5,5]C)(CH3){1|P<4>,3|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3){1|W<6>,1|W<8>,4|C<4>}	130.0720	0.000	1	130.0720	0.000	1	127.7196	1.475	12	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH){2|C<4>,2|H<1>,3|O<2>}	128.9535	0.281	2	128.9535	0.079	2	127.7196	1.475	12	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|Cr<9>,2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	127.6163	0.444	3	127.6163	0.197	3	127.6163	0.197	3	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AlC)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	124.7655	0.097	2	124.7655	0.009	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]BiC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]BiC)(C[5]C[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BiC)(C[5]C[5]C)(CH3){2|C<4>}	124.4430	1.092	2	124.4430	1.192	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	129.6585	2.065	2	129.6585	4.266	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	128.0320	0.352	4	128.0320	0.124	4	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	127.9525	0.337	2	127.9525	0.114	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|Ti<10>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|Ti<10>,1|N<3>,2|H<1>}	127.6520	0.122	2	127.6520	0.015	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	127.3530	0.000	1	127.3530	0.000	1	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SbC)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	124.0135	0.934	2	124.0135	0.873	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,1|S<4>}	128.4820	0.000	1	128.4820	0.000	1	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3){1|B<4>,2|H<1>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3){1|B<4>,2|H<1>,2|N<3>}	124.8635	0.033	2	124.8635	0.001	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	124.5800	0.740	2	124.4103	1.010	6	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	125.3190	0.663	2	124.4103	1.010	6	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	123.3320	0.167	2	124.4103	1.010	6	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>}	128.9070	0.632	2	128.9070	0.400	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){2|H<1>}	129.2325	0.281	2	129.2325	0.079	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	126.3570	0.399	6	126.3570	0.159	6	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	126.6200	0.656	2	126.6200	0.431	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	127.5790	0.000	1	127.3373	0.195	7	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|N<3>,2|H<1>}	126.7945	0.407	2	127.3373	0.195	7	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|N<2>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|N<2>,1|N<3>,2|H<1>}	127.5482	0.244	4	127.3373	0.195	7	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|O<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH){2|H<1>,2|O<1>}	126.4520	0.000	1	126.4520	0.000	1	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	125.9125	0.207	2	125.9125	0.043	2	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){1|Si<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){1|Si<4>,1|N<3>,2|H<1>}	126.0915	0.350	2	125.6947	0.393	4	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	125.2980	0.653	2	125.6947	0.393	4	126.5615	2.940	52	127.0358	2.156	119	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:4:3:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C){1|C<3>,3|H<1>,4|C<4>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	128.6318	8.438	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,2|C<4>,5|H<1>}	128.5795	0.383	2	128.5795	0.146	2	128.5795	0.146	2	128.6318	8.438	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	131.0080	0.840	2	131.0080	0.706	2	131.0080	0.706	2	128.6318	8.438	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH)	C(C[5]C[5,3x6]C[5])(CC)(H)2	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[5,3x6]C[5])(CC)(H)2	C[5](C[5]C[5,3x6]C)(C[5]C[5,6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	127.2450	0.000	1	127.2450	0.000	1	127.2450	0.000	1	127.7366	7.696	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	125.1435	0.155	2	125.1435	0.024	2	125.1435	0.024	2	127.7366	7.696	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO)	C(C[5]C[5]S[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO){2|C<3>}	C(C[5]C[5]S[5])(OH)(H)2	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>}	130.5755	0.975	2	130.5755	0.951	2	130.5755	0.951	2	127.7366	7.696	5	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO){1|H<1>,1|O<1>}	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	130.7920	0.000	1	130.7920	0.000	1	130.7920	0.000	1	130.7920	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[3,5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO)	C(C[5]C[3,5]C[5])(OC)(H)2	C[5](C[5]C[3,5]HO)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]H)(CHHO){1|C<3>,1|O<2>,3|H<1>}	C(C[5]C[3,5]C[5])(OC)(H)2	C[5](C[5]C[3,5]HO)(C[5]C[3,5]C)(H){1|C<3>,1|C<4>,1|H<1>}	127.3210	0.000	1	127.3210	0.000	1	127.3210	0.000	1	126.6124	4.002	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO)	C(C[5]C[5,5]C[5])(OC)(H)2	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO){1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(OC)(H)2	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(H){1|H<1>,2|C<4>}	126.8210	2.725	2	126.8210	7.427	2	126.8210	7.427	2	126.6124	4.002	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO)	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO){1|C<3>,3|H<1>,3|O<2>}	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	123.7940	0.000	1	123.7940	0.000	1	123.7940	0.000	1	126.6124	4.002	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	130.3540	0.000	1	130.3540	0.000	1	130.3540	0.000	1	126.6124	4.002	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO)	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO){1|C<3>,2|O<2>,4|H<1>}	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	125.8045	0.367	2	125.8045	0.135	2	125.8045	0.135	2	126.6124	4.002	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO){3|C<4>}	C(C[5]C[5]2)(OC)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	126.9070	0.000	1	126.9070	0.000	1	126.9070	0.000	1	126.6124	4.002	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO){2|H<1>,2|O<2>}	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|H<1>,2|O<2>}	125.8850	0.000	1	125.8850	0.000	1	125.8850	0.000	1	126.6124	4.002	9	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:S-2:	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]C)(SC)	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO){1|O<1>,2|C<4>}	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]C)(SC){1|O<1>,2|C<4>}	127.2490	0.000	1	127.2490	0.000	1	127.2490	0.000	1	127.2490	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	127.4570	0.000	1	127.4570	0.000	1	127.4570	0.000	1	127.5978	1.579	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN)	C(C[5]C[5]2)(NC[6a]2)(H)2	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]2)(H)2	C[5](C[5]C[5]C)2(H){4|H<1>}	126.2130	0.000	1	126.2130	0.000	1	126.2130	0.000	1	127.5978	1.579	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|C<4>,1|H<1>}	127.4075	0.780	2	127.4075	0.608	2	127.4075	0.608	2	127.5978	1.579	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	127.2360	0.000	1	127.2360	0.000	1	128.5510	3.458	2	127.5978	1.579	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH){1|O<1>,1|S<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|S<4>,2|H<1>}	129.8660	0.000	1	129.8660	0.000	1	128.5510	3.458	2	127.5978	1.579	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){4|H<1>}	125.7010	0.000	1	125.7010	0.000	1	125.7010	0.000	1	125.7010	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCO)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH){1|O<1>}	C(C[5]C[5]2)(CCO)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH){2|H<1>}	129.1660	0.000	1	129.1660	0.000	1	129.1660	0.000	1	129.1660	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	126.1535	1.114	2	126.1843	0.623	3	126.1843	0.623	3	126.1843	0.623	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>}	126.2460	0.000	1	126.1843	0.623	3	126.1843	0.623	3	126.1843	0.623	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(COO)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H){1|C<4>,4|C<3>}	127.2230	0.000	1	127.2230	0.000	1	127.2230	0.000	1	126.4325	4.928	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN)	C(C[5]C[5]2)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN){2|C<4>,2|H<1>}	C(C[5]C[5]2)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	125.6130	0.232	2	125.6130	0.054	2	125.6130	0.054	2	126.4325	4.928	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	B[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](B[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](B[5]N[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	129.7160	0.000	1	129.7160	0.000	1	129.7160	0.000	1	126.4325	4.928	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|N<4>,2|C<3>}	127.3210	0.000	1	127.3210	0.000	1	127.3210	0.000	1	126.4325	4.928	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	P[5]-4:C[5]-3:O-1:	C[5](P[5]C[6a]2C[5])(C[5]P[5]O)(CCHH)	C(C[5]C[5]P[5])(COO)(H)2	C[5](P[5]C[6a]2C[5])(C[5]P[5]C)(O)	C[5](P[5]C[6a]2C[5])(C[5]P[5]O)(CCHH){7|C<3>}	C(C[5]C[5]P[5])(COO)(H)2	C[5](P[5]C[6a]2C[5])(C[5]P[5]C)(O){7|C<3>}	123.1090	0.000	1	123.1090	0.000	1	123.1090	0.000	1	126.4325	4.928	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN){4|H<1>}	128.2590	0.000	1	128.2590	0.000	1	128.2590	0.000	1	128.2590	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|S<4>,2|H<1>}	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	129.9060	0.000	1	129.9060	0.000	1	129.9060	0.000	1	125.7570	34.428	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<4>}	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1	125.7570	34.428	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	C(C[5]C[5,6]C[5])(CCC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(CCC)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|Cr<9>,2|C<4>}	128.9180	0.000	1	128.9180	0.000	1	128.4627	0.236	3	126.5643	2.281	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)	C(C[5]C[5,6]C[5])(CCH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(CCH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|Cr<9>,2|C<4>}	128.2350	0.400	2	128.2350	0.160	2	128.4627	0.236	3	126.5643	2.281	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>,4|C<4>}	125.8070	0.744	3	125.8070	0.553	3	125.8070	0.553	3	126.5643	2.281	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH){2|C<3>,2|H<1>}	124.4140	0.000	1	124.4140	0.000	1	126.3510	7.504	2	126.5643	2.281	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2)(CCH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,2|H<1>}	128.2880	0.000	1	128.2880	0.000	1	126.3510	7.504	2	126.5643	2.281	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	125.4360	0.000	1	125.4360	0.000	1	125.4360	0.000	1	126.5643	2.281	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH){1|B<4>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH){1|B<4>,2|H<1>,2|N<3>}	125.1685	0.276	2	125.1685	0.076	2	125.1685	0.076	2	126.5643	2.281	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(SiC3){1|C<4>,3|H<1>}	127.0260	0.016	2	127.0260	0.000	2	127.0260	0.000	2	126.5643	2.281	13	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:S-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	130.0740	0.653	2	130.0740	0.427	2	130.0740	0.427	2	130.0740	0.427	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:O-2:H-1:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]C)(H){2|H<1>,3|C<3>}	127.9220	0.000	1	127.9220	0.000	1	127.9220	0.000	1	129.2537	3.850	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:2:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO){3|C<3>,3|H<1>}	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H){2|C<3>,2|H<1>}	131.5070	0.000	1	131.5070	0.000	1	131.5070	0.000	1	129.2537	3.850	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){4|H<1>}	128.3320	0.000	1	128.3320	0.000	1	128.3320	0.000	1	129.2537	3.850	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C(C[5]C[5,6]C[5])(COO)2(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(COO)2(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	127.5720	0.000	1	127.5720	0.000	1	127.5720	0.000	1	126.4420	2.554	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-3:C-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH)	C(C[5]C[5]2)(COO)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH){2|C<3>}	C(C[5]C[5]2)(COO)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	125.3120	0.000	1	125.3120	0.000	1	125.3120	0.000	1	126.4420	2.554	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:2:	S[5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:O-2:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	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>}	133.1520	0.000	1	133.1520	0.000	1	133.1520	0.000	1	133.1520	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN){4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	126.5830	0.000	1	126.5830	0.000	1	126.5830	0.000	1	127.0535	0.443	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	127.5240	0.000	1	127.5240	0.000	1	127.5240	0.000	1	127.0535	0.443	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:3:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH)	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH){1|S<4>,2|H<1>}	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	128.1570	0.000	1	128.1570	0.000	1	128.1570	0.000	1	128.1570	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:3:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C)	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C){2|C<4>}	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	C[5](C[5]C[5]C)2(CH3){1|H<1>,2|C<4>}	127.9430	0.000	1	127.9430	0.000	1	127.9430	0.000	1	127.9430	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	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>}	127.7650	0.000	1	127.7650	0.000	1	127.7650	0.000	1	127.7650	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){4|H<1>}	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:3:4:1:	4:4:3:	C[5]-4:C[5]-3:C-4:	B[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH)	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH){1|C<4>,3|C<3>,3|H<1>}	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	127.6457	0.165	3	127.6457	0.027	3	127.6457	0.027	3	127.6457	0.027	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	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>}	126.9830	0.000	1	126.9830	0.000	1	126.9830	0.000	1	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(H){2|C<4>,2|H<1>}	126.7950	0.664	4	126.7950	0.441	4	126.7950	0.441	4	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH)	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]O)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	127.9380	0.000	1	127.9380	0.000	1	127.9380	0.000	1	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:Br-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH){4|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br){2|H<1>,3|C<3>}	129.6970	0.000	1	129.6970	0.000	1	129.6970	0.000	1	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH){2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	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>}	126.8830	0.000	1	126.8830	0.000	1	126.8830	0.000	1	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5]2)(CC3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	126.8420	0.000	1	126.8420	0.000	1	128.4082	4.833	13	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	126.5970	0.000	1	126.5970	0.000	1	128.4082	4.833	13	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]FeH)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]FeH)(C[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Fe<8>,2|H<1>}	126.8110	0.000	1	126.8110	0.000	1	128.4082	4.833	13	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){3|H<1>}	127.7615	1.399	2	127.7615	1.958	2	128.4082	4.833	13	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CCHH){2|H<1>}	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Ru<8>,2|H<1>}	125.3105	0.299	2	125.3105	0.089	2	128.4082	4.833	13	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[6a]HN)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	C(C[5]C[5]2)(CC[6a]HN)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	130.0570	0.000	1	130.0570	0.000	1	128.4082	4.833	13	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH){1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H){2|H<1>}	130.2977	0.558	3	130.2977	0.311	3	128.4082	4.833	13	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	130.9815	0.579	2	130.9815	0.335	2	128.4082	4.833	13	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH){1|S<4>,2|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,3|H<1>}	127.8515	0.384	2	127.8515	0.147	2	127.8515	0.147	2	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:S-4:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS)	C(C[5]C[5]2)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS){2|C<3>}	C(C[5]C[5]2)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	125.4200	0.000	1	125.4200	0.000	1	125.4200	0.000	1	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCHH)	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](S[5]C[5]OO)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]S[5])(CCHH)(H)2	C[5](C[5]C[5]H)(C[5]S[5]C)(H){1|C<4>,2|O<1>}	133.2760	0.091	2	133.2760	0.008	2	133.2760	0.008	2	128.2947	5.309	26	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:Si-4:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH)	C(C[5]C[5]2)(SiC3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6])	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH){1|C<4>,1|N<4>,1|O<1>,2|C<3>}	C(C[5]C[5]2)(SiC3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	125.2350	0.000	1	125.2350	0.000	1	125.2350	0.000	1	125.2350	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH)	C(C[5]C[5,5]C[5])(CH3)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH){1|C<4>,6|C<3>}	C(C[5]C[5,5]C[5])(CH3)(H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	122.3625	3.432	2	122.3625	11.776	2	122.3625	11.776	2	127.8597	24.373	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	129.0460	0.000	1	129.0460	0.000	1	129.0460	0.000	1	127.8597	24.373	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH)	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH){6|C<3>}	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	127.8470	0.000	1	127.8470	0.000	1	127.8470	0.000	1	127.8597	24.373	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	S[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCHH)	C(C[5]C[5]S[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCHH){2|C<3>}	C(C[5]C[5]S[5])(CH3)(H)2	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>}	132.7700	0.143	2	132.7700	0.020	2	132.7700	0.020	2	127.8597	24.373	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[4,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CCHH)	C(C[5]C[4,5]C[5])(CCHH)(H)2	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH)	C[5](C[4,5]C[4,5]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,3|C<4>}	C(C[5]C[4,5]C[5])(CCHH)(H)2	C[5](C[5]C[4,5]C)(C[5]C[4,5]O)(CCHH){4|C<4>}	124.9385	0.162	2	124.9385	0.026	2	124.9385	0.026	2	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	B[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH)	C(C[5]C[5,5,6]C[5])(CH3)(H)2	C[5](B[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH){1|B<3>,2|C<3>,3|C<4>}	C(C[5]C[5,5,6]C[5])(CH3)(H)2	C[5](B[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(CCHH){2|C<3>,4|C<4>}	124.0300	0.000	1	124.0300	0.000	1	124.0300	0.000	1	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)2(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)2(CCHH){2|C<3>,2|C<4>}	123.0105	2.252	16	123.0105	5.072	16	124.3079	7.292	24	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	125.4557	0.073	3	126.7007	1.427	7	124.3079	7.292	24	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	127.6345	0.370	4	126.7007	1.427	7	124.3079	7.292	24	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	128.3160	0.000	1	128.3160	0.000	1	124.3079	7.292	24	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.4220	2.629	2	126.4220	6.912	2	126.3940	3.301	18	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|O<1>,2|H<1>}	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	122.4805	0.486	2	122.4805	0.236	2	126.3940	3.301	18	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH){2|C<4>}	C(C[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	126.5236	0.382	9	126.5236	0.146	9	126.3940	3.301	18	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CHHS)(H)2	C[5](C[5]C[5]C)2(CH3)	C[5](C[5]C[5]ZnC)(C[5]C[5]C)(CCHH){2|C<4>}	C(C[5]C[5]2)(CHHS)(H)2	C[5](C[5]C[5]C)2(CH3){1|Zn<4>,2|C<4>}	126.2200	0.857	2	126.2200	0.734	2	126.3940	3.301	18	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH){2|C<3>,2|C<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	128.8280	0.140	2	128.8280	0.020	2	126.3940	3.301	18	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){1|O<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|H<1>}	128.4790	0.000	1	128.4790	0.000	1	126.3940	3.301	18	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3)	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(SiC3){1|C<4>,1|O<2>,2|H<1>}	125.3680	0.000	1	125.3680	0.000	1	125.3680	0.000	1	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH){2|C<3>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	128.2540	0.000	1	128.2540	0.000	1	128.2540	0.000	1	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH)	C(C[5]C[5]P[5])(CH3)(H)2	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH)	C[5](P[5]C[5,6]CS)(C[5]C[5,6]C)(CCHH){1|C<3>,1|P<2>}	C(C[5]C[5]P[5])(CH3)(H)2	C[5](C[5,6]C[5,6]P[6])(C[5]P[5]C)(CCHH){1|C<4>,1|S<1>,2|C<3>}	128.0290	0.000	1	128.0290	0.000	1	128.0290	0.000	1	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH)	C(C[5]C[5]P[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH){4|C<3>}	C(C[5]C[5]P[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH){1|H<1>,1|O<1>,3|C<3>}	125.7430	0.000	1	125.7430	0.000	1	125.7430	0.000	1	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]CW)(C[5]C[5]C)(CCHH)	C(C[5]C[5]P[5])(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH)	C[5](P[5]C[5]CW)(C[5]C[5]C)(CCHH){2|C<4>}	C(C[5]C[5]P[5])(CH3)(H)2	C[5](C[5]C[5]C)(C[5]P[5]C)(CCHH){1|C<3>,1|C<4>,1|W<6>}	127.7660	1.297	2	127.7660	1.682	2	127.7660	1.682	2	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	Si[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	Si[5]-3:C[5]-3:C-4:	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH)	C(C[5]Si[5]C[5])(CH3)(H)2	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH)	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH){2|Si<4>}	C(C[5]Si[5]C[5])(CH3)(H)2	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH){2|Si<4>,1|C<4>}	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	125.3142	6.262	52	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH)	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<3>,1|C<4>,3|H<1>}	130.2800	0.000	1	130.2800	0.000	1	130.2800	0.000	1	127.4097	5.627	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[6]CH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|O<2>,4|H<1>}	C(C[5]C[5]2)(CC[6]CH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	126.3550	0.000	2	126.3550	0.000	2	126.1731	2.425	7	127.4097	5.627	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH){1|O<2>,3|H<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>}	124.7630	0.000	1	124.7630	0.000	1	126.1731	2.425	7	127.4097	5.627	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH){4|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	124.7755	0.415	2	124.7755	0.172	2	126.1731	2.425	7	127.4097	5.627	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH){1|S<4>,2|H<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	128.8140	0.000	1	128.8140	0.000	1	126.1731	2.425	7	127.4097	5.627	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	127.3740	0.000	1	127.3740	0.000	1	126.1731	2.425	7	127.4097	5.627	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	B[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]2C[5])(C[5]B[5]H)(CCHH)	C(C[5]C[5]P[5])(CCHH)(H)2	C[5](B[5]C[6a]2C[5])(C[5]P[5]C)(H)	C[5](P[5]C[6a]2C[5])(C[5]B[5]H)(CCHH){7|C<3>}	C(C[5]C[5]P[5])(CCHH)(H)2	C[5](B[5]C[6a]2C[5])(C[5]P[5]C)(H){7|C<3>}	130.3025	0.644	2	130.3025	0.415	2	130.3025	0.415	2	127.4097	5.627	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	B[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:Si-4:	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH)	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	C[5](P[5]C[6a]2C[5])(C[5]B[5]C)(SiC3)	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH){1|N<2>,6|C<3>}	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	C[5](P[5]C[6a]2C[5])(C[5]B[5]C)(SiC3){1|N<2>,6|C<3>}	119.9390	0.000	1	119.9390	0.000	1	120.7777	0.751	6	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	B[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:Si-4:	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH)	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](P[5]C[6a]2C[5])(C[5]B[5]C)(SiC3)	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH){1|N<2>,6|C<3>}	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](P[5]C[6a]2C[5])(C[5]B[5]C)(SiC3){1|N<2>,6|C<3>}	120.7770	0.000	1	120.7770	0.000	1	120.7777	0.751	6	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	B[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:Si-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH)	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]C)(SiC3)	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH){1|O<1>,6|C<3>}	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]C)(SiC3){1|O<1>,6|C<3>}	120.3230	1.054	2	120.9875	0.959	4	120.7777	0.751	6	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	B[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-3:Si-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH)	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]C)(SiC3)	C[5](B[5]C[6a]2N[5])(C[5]P[5]Si)(CCHH){1|O<2>,6|C<3>}	C(C[5]B[5]C[5])(CHHP)(H)2	C[5](P[5]C[6a]2N[5])(C[5]B[5]C)(SiC3){1|O<2>,6|C<3>}	121.6520	0.035	2	120.9875	0.959	4	120.7777	0.751	6	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH)	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH){2|C<4>,2|H<1>,3|O<2>}	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3){1|C<4>,1|H<1>,2|O<2>}	124.4900	0.887	2	124.4900	0.786	2	124.4900	0.786	2	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<2>,3|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.5540	0.000	1	125.7223	0.107	4	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,2|H<1>}	126.0620	0.000	1	125.7223	0.107	4	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	125.6365	0.404	2	125.7223	0.107	4	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	126.3870	0.021	2	126.3870	0.000	2	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	126.2150	0.000	1	126.6835	0.439	2	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	127.1520	0.000	1	126.6835	0.439	2	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	126.1890	0.000	1	126.1890	0.000	1	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|O<1>}	125.2940	0.000	1	125.2940	0.000	1	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){2|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	129.1260	0.403	2	129.1260	0.162	2	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH){2|H<1>,2|O<1>}	C(C[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|O<1>}	125.1010	0.000	1	125.1010	0.000	1	126.4512	1.725	13	124.6434	7.872	21	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:1:1:	6:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:H-1:	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH)	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH){2|C<3>,2|H<1>,6|B<6>}	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5,6]C)(H){2|C<3>,4|H<1>,5|B<6>}	126.5950	0.211	2	126.5950	0.044	2	126.5950	0.044	2	126.5950	0.044	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	C(C[5]C[5]2)(CC3)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	C(C[5]C[5]2)(CC3)(OC)(H)	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>}	126.7440	0.139	2	126.7440	0.019	2	126.7440	0.019	2	128.0595	1.223	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	127.8980	0.000	1	127.8980	0.000	1	128.7173	0.301	4	128.0595	1.223	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:2:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(H){1|H<1>,1|O<2>}	128.9903	0.063	3	128.9903	0.004	3	128.7173	0.301	4	128.0595	1.223	6	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:2:1:	3:3:3:	P[5]-4:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO)	C(C[5]C[5]P[5])(CH3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO){6|C<3>}	C(C[5]C[5]P[5])(CH3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	127.0820	0.000	1	127.0820	0.000	1	127.0820	0.000	1	127.0820	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO)	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO){4|H<1>}	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	125.4520	0.000	1	125.4520	0.000	1	125.4520	0.000	1	125.4520	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:2:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){2|C<4>,2|H<1>}	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH)	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(H){4|C<4>}	125.4120	0.000	1	125.4120	0.000	1	125.4120	0.000	1	126.9171	0.993	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH)	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C[5](C[5]C[5,6,6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C[5](C[5]C[5,6,6]C)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	128.0870	0.000	1	128.0870	0.000	1	128.0870	0.000	1	126.9171	0.993	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>,2|H<1>}	127.8680	0.000	1	127.8680	0.000	1	126.9590	0.755	8	126.9171	0.993	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	126.0970	0.000	1	126.0970	0.000	1	126.9590	0.755	8	126.9171	0.993	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|H<1>,3|C<4>}	126.3610	0.449	3	126.3610	0.201	3	126.9590	0.755	8	126.9171	0.993	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>}	127.5413	0.783	3	127.5413	0.613	3	126.9590	0.755	8	126.9171	0.993	10	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|C<3>,2|C<4>}	125.8610	0.000	1	125.8610	0.000	1	124.4910	3.754	2	124.4910	3.754	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){1|O<1>,2|C<4>}	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|H<1>,3|C<4>}	123.1210	0.000	1	123.1210	0.000	1	124.4910	3.754	2	124.4910	3.754	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:Br-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC){1|O<1>,2|C<3>}	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	127.7140	0.000	1	127.7140	0.000	1	127.7140	0.000	1	125.6287	3.266	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C(C[5]C[5]2)(CCHO)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	C(C[5]C[5]2)(CCHO)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HH){4|H<1>}	124.5220	0.000	1	124.5220	0.000	1	124.5860	0.008	2	125.6287	3.266	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C(C[5]C[5]2)(CCHO)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	C(C[5]C[5]2)(CCHO)(CH3)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO){4|H<1>}	124.6500	0.000	1	124.6500	0.000	1	124.5860	0.008	2	125.6287	3.266	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|C<3>,3|C<4>}	129.7260	0.000	1	129.7260	0.000	1	129.7260	0.000	1	128.0805	5.415	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>}	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	126.4350	0.000	1	126.4350	0.000	1	126.4350	0.000	1	128.0805	5.415	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH){2|C<4>,2|O<2>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3){1|H<1>,3|C<4>,3|O<2>}	125.6600	0.000	1	125.6600	0.000	1	125.6600	0.000	1	127.1160	0.600	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH){2|C<4>,2|O<2>}	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3){2|C<4>,2|O<2>,3|H<1>}	127.3690	0.000	1	127.3690	0.000	1	127.3690	0.000	1	127.1160	0.600	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<2>,3|H<1>}	127.1700	0.000	1	127.0833	0.049	3	127.3165	0.355	6	127.1160	0.600	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	127.0400	0.296	2	127.0833	0.049	3	127.3165	0.355	6	127.1160	0.600	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	126.8730	0.000	1	127.5497	0.674	3	127.3165	0.355	6	127.1160	0.600	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	127.8880	0.813	2	127.5497	0.674	3	127.3165	0.355	6	127.1160	0.600	8	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:2:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H){1|C<3>,3|C<4>}	125.2390	0.000	1	125.2390	0.000	1	125.2390	0.000	1	126.4147	1.304	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:2:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	127.5200	0.000	1	127.5200	0.000	1	127.0025	0.536	2	126.4147	1.304	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:2:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	126.4850	0.000	1	126.4850	0.000	1	127.0025	0.536	2	126.4147	1.304	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:3:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-3:	S[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]H)(CC3)	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	C[5](S[5]C[5,5,6]OO)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]H)(CC3){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<1>}	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	C[5](S[5]C[5,5,6]OO)(C[5]C[5,5,6]C)(H){2|C<4>,2|H<1>}	124.8700	0.000	1	124.8700	0.000	1	124.8700	0.000	1	124.8700	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	B[4,5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](B[4,5]N[4]N[5]O[4])(C[5]C[5]H)(CC3)	C(C[5]B[4,5]C[5])(CH3)3	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H)	C[5](B[4,5]N[4]N[5]O[4])(C[5]C[5]H)(CC3){1|C<4>,3|C<3>}	C(C[5]B[4,5]C[5])(CH3)3	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,1|O<2>}	123.0180	0.000	1	123.0180	0.000	1	123.0180	0.000	1	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	122.3625	0.022	2	122.3625	0.000	2	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3){2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|Ga<2>,1|C<4>,1|H<1>}	125.2380	0.000	1	125.2380	0.000	1	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|B<3>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|B<3>,2|H<1>}	126.7290	0.000	1	126.7290	0.000	1	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){3|H<1>}	128.5330	0.000	1	128.5827	0.224	3	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|C<4>,2|H<1>}	128.6075	0.667	2	128.5827	0.224	3	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CC[5]CC)(CH3)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]RuH)(C[5]C[5]H)(CC3){2|H<1>}	C(C[5]C[5]2)(CC[5]CC)(CH3)2	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Ru<8>,2|H<1>}	126.6400	0.081	2	126.6400	0.006	2	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3){1|Pt<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Pt<6>,1|C<3>,1|O<2>}	126.3675	0.252	2	126.3675	0.064	2	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	122.9135	0.416	2	122.9907	0.066	4	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H)	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)2(H){1|Ga<4>,1|C<4>,1|H<1>}	123.0680	0.008	2	122.9907	0.066	4	125.3612	5.678	15	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Ge[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](Ge[5]N[5]MgN)(C[5]C[5]H)(CC3)	C(C[5]Ge[5]C[5])(CH3)3	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H)	C[5](Ge[5]N[5]MgN)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>}	C(C[5]Ge[5]C[5])(CH3)3	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H){1|Mg<4>,1|C<3>,1|N<3>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	N[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li2)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li2)(C[5]C[5]H)(CC3){1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){2|Li<4>}	129.9430	0.000	1	129.2958	0.306	5	129.2958	0.306	5	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	N[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Li2)(C[5]C[5]H)(CC3)	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Li2)(C[5]C[5]H)(CC3){1|Li<3>,1|C<4>}	C(C[5]C[5]N[5])(CH3)3	C[5](C[5]N[5]C)2(H){3|Li<3>}	129.1340	0.483	4	129.2958	0.306	5	129.2958	0.306	5	125.8966	8.958	22	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]P[5]C)(OSi)	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3){1|C<3>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]P[5]C)(OSi){1|C<4>,1|H<1>}	123.4880	0.000	1	123.4880	0.000	1	123.4880	0.000	1	122.5020	0.729	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	P[5,5]-3:C[5]-3:O-2:	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(OSi)	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(OSi){2|C<3>,2|C<4>,2|H<1>}	122.0090	0.000	2	122.0090	0.000	2	122.0090	0.000	2	122.5020	0.729	3	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]AlH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Al<4>,1|C<4>,1|H<1>}	133.0420	0.000	1	133.0420	0.000	1	134.0875	1.716	4	134.0875	1.716	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<2>,1|C<4>,1|H<1>}	132.9360	0.000	1	132.9360	0.000	1	134.0875	1.716	4	134.0875	1.716	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>}	135.1860	0.561	2	135.1860	0.315	2	134.0875	1.716	4	134.0875	1.716	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	3:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C[6]-4:C[5]-3:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3){2|H<1>,6|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	128.6070	0.253	2	128.6070	0.064	2	128.6070	0.064	2	128.6070	0.064	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C(C[5]C[5]2)(CH3)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	126.0780	0.000	1	126.0780	0.000	1	126.0780	0.000	1	125.8905	0.189	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3){4|H<1>}	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	126.0300	0.525	2	126.0300	0.275	2	125.8280	0.260	3	125.8905	0.189	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CdH)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]CdC)(C[5]C[5]C)(H)	C[5](C[5]C[5]CdH)(C[5]C[5]H)(CC3){2|C<4>}	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]CdC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	125.4240	0.000	1	125.4240	0.000	1	125.8280	0.260	3	125.8905	0.189	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C(CC[6,6]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	C(CC[6,6]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	126.1540	0.000	1	126.1540	0.000	1	126.1540	0.000	1	125.8025	0.247	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	125.4510	0.000	1	125.4510	0.000	1	125.4510	0.000	1	125.8025	0.247	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH)	C(CC[3x5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(CC[3x5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	126.0980	0.000	1	126.0980	0.000	1	126.0980	0.000	1	126.0980	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<4>}	125.4290	0.000	1	125.4290	0.000	1	125.4290	0.000	1	125.4290	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	132.0440	0.000	1	132.0440	0.000	1	132.0440	0.000	1	129.7025	10.965	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	127.3610	0.000	1	127.3610	0.000	1	127.3610	0.000	1	129.7025	10.965	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]N[5]H)(C[5]C[5]HO)(C[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	130.0030	0.000	1	130.0030	0.000	1	130.0030	0.000	1	130.0030	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:2:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO){1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<4>,1|H<1>,1|O<1>}	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:3:4:	4:3:3:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(OC[5,5])	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(OC[5,5]){4|H<1>}	132.3200	0.000	1	132.3200	0.000	1	132.3200	0.000	1	132.3200	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:4:3:	3:3:4:1:	3:3:1:	C[5]-4:C-4:C[5]-3:	C[6,6]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]ZnH)(CC[6,6]CH)(C[5]C[5]H)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]ZnH)(CC[6,6]CH)(C[5]C[5]H){2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Zn<4>,2|H<1>}	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	4:4:3:	4:3:1:1:	3:3:4:	C[5]-4:C-4:C[5]-3:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3){1|C<4>,1|O<2>}	129.8500	0.000	1	129.8500	0.000	1	129.8500	0.000	1	129.8500	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	5:3:4:	3:1:1:1:	3:3:1:	Nb[5]-5:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](Nb[5]N[5]N[6]NN)(C[5]C[5]H)(CH3)	C(C[5]Nb[5]C[5])(H)3	C[5](C[5]Nb[5]C)(C[5]N[5]C)(H)	C[5](Nb[5]N[5]N[6]NN)(C[5]C[5]H)(CH3){1|C<4>,3|C<3>}	C(C[5]Nb[5]C[5])(H)3	C[5](C[5]Nb[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,2|N<2>}	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	6:3:4:	3:1:1:1:	2:3:1:	B[5x3,3x5,6]-6:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:H-1:	C[5](B[5x3,3x5,6]B[3x3,5,5,4x6]2C[3,3,5,5,3x6]B[5x3,5,5,6]2)(C[5]O[5]H)(CH3)	C(C[5]B[5x3,3x5,6]C[5])(H)3	C[5](O[5]C[3,3,5,5,3x6])(C[5]B[5x3,3x5,6]C)(H)	C[5](B[5x3,3x5,6]B[3x3,5,5,4x6]2C[3,3,5,5,3x6]B[5x3,5,5,6]2)(C[5]O[5]H)(CH3){1|Fe<8>,1|C<5>,2|B<5>,4|H<1>}	C(C[5]B[5x3,3x5,6]C[5])(H)3	C[5](O[5]C[3,3,5,5,3x6])(C[5]B[5x3,3x5,6]C)(H){1|Fe<8>,4|B<6>}	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	123.4260	0.562	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	6:3:4:	3:1:1:1:	2:3:1:	B[5x3,6x5]-6:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	O[5]-2:C[5]-3:H-1:	C[5](B[5x3,6x5]B[3x3,5x5,6,6]2B[5x3,4,3x5,6]2C[3,3,3x5,6,6])(C[5]O[5]H)(CH3)	C(C[5]B[5x3,6x5]C[5])(H)3	C[5](O[5]C[3,3,3x5,6,6])(C[5]B[5x3,6x5]C)(H)	C[5](B[5x3,6x5]B[3x3,5x5,6,6]2B[5x3,4,3x5,6]2C[3,3,3x5,6,6])(C[5]O[5]H)(CH3){1|Fe<8>,1|C<5>,2|B<6>,4|H<1>}	C(C[5]B[5x3,6x5]C[5])(H)3	C[5](O[5]C[3,3,3x5,6,6])(C[5]B[5x3,6x5]C)(H){1|Fe<8>,4|B<6>}	123.9560	0.000	1	123.9560	0.000	1	123.9560	0.000	1	123.4260	0.562	2	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	6:3:4:	3:1:1:1:	3:2:1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]S[5]H)(CH3)	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5]C[5x3,6x5,20x6]C)(S[5]C[5x3,6x5,20x6])(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]S[5]H)(CH3){4|H<1>,5|B<6>}	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5]C[5x3,6x5,20x6]C)(S[5]C[5x3,6x5,20x6])(H){6|B<6>}	126.5550	0.000	1	126.5550	0.000	1	126.5550	0.000	1	126.5550	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	6:3:4:	3:1:1:1:	3:3:1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]H)(CH3)	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5]C[5x3,6x5,20x6]C)(N[5]C[5x3,6x5,20x6]C)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]H)(CH3){1|C<4>,4|H<1>,5|B<6>}	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5]C[5x3,6x5,20x6]C)(N[5]C[5x3,6x5,20x6]C)(H){6|B<6>}	127.6160	0.000	1	127.6160	0.000	1	127.6160	0.000	1	121.7343	15.499	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	6:3:4:	3:1:1:1:	3:3:1:	Nb[3,3,5]-6:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](Nb[3,3,5]Nb[3,3,5]N[5]O[3]2N)(C[5]C[5]H)(CH3)	C(C[5]Nb[3,3,5]C[5])(H)3	C[5](C[5]Nb[3,3,5]C)(C[5]N[5]C)(H)	C[5](Nb[3,3,5]Nb[3,3,5]N[5]O[3]2N)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[5]Nb[3,3,5]C[5])(H)3	C[5](C[5]Nb[3,3,5]C)(C[5]N[5]C)(H){1|Nb<6>,1|C<3>,1|N<2>,2|O<2>}	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	121.7343	15.499	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	6:3:4:	3:1:1:1:	3:3:1:	Nb[3,5,5]-6:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](Nb[3,5,5]C[3,5]N[3]N[5]O[5]N)(C[5]C[5]H)(CH3)	C(C[5]Nb[3,5,5]C[5])(H)3	C[5](C[5]Nb[3,5,5]C)(C[5]N[5]C)(H)	C[5](Nb[3,5,5]C[3,5]N[3]N[5]O[5]N)(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[5]Nb[3,5,5]C[5])(H)3	C[5](C[5]Nb[3,5,5]C)(C[5]N[5]C)(H){1|C<3>,1|C<5>,1|N<2>,1|N<3>,1|O<2>}	119.5985	0.432	2	119.5985	0.187	2	119.5985	0.187	2	121.7343	15.499	4	128.0200	7.494	13432	128.0363	7.511	13870
818	490	818	0:SP2_SP2_SP3	C[5]	C	C[5]	6:3:4:	3:1:1:1:	4:3:1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3)	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5]C[5x3,6x5,20x6]C[6a]H)(C[5]C[5x3,6x5,20x6]C)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3){1|C<3>,5|B<6>,5|H<1>}	C(C[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5]C[5x3,6x5,20x6]C[6a]H)(C[5]C[5x3,6x5,20x6]C)(H){2|C<3>,6|B<6>}	128.3930	0.000	1	128.3930	0.000	1	128.3930	0.000	1	128.3930	0.000	1	128.0200	7.494	13432	128.0363	7.511	13870