742	643	956	0:SP3_SP2_SP2	B[4]	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:N[4]-3:N[4]-3:N-3:	C[6a]-3:C[6a]-3:B[4]-4:	B[4]-4:C[6a]-3:H-1:	B[4](C[6a]C[6a]2)(N[4]C[4]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(B[4]N[4]2N)	N(B[4]C[6a]N[4]2)(C[6a]C[6a]2)(H)	B[4](C[6a]C[6a]2)(N[4]C[4]C)2(NC[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(B[4]N[4]2N){2|C<3>,2|C<4>,2|H<1>}	N(B[4]C[6a]N[4]2)(C[6a]C[6a]2)(H)	112.4600	0.000	1	112.4600	0.000	1	112.4600	0.000	1	112.4600	0.000	1	112.4600	0.000	1	112.4600	0.000	1
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4,5]	4:4:3:3:	4:3:3:	4:4:4:4:	C[4,6]-4:N[4,5]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:B[4]-4:C[5]-4:C[5]-4:	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,5]C[4,6,6]C[5]2)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6]N[4,5]C[6a])(C[6a]C[6a]F)2	N[4,5](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[5]C[5]HH)2	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,5]C[4,6,6]C[5]2)(C[6a]C[6a]2)2{4|C<4>,4|F<1>,5|C<3>,5|H<1>}	C[6a](B[4]C[4,6]N[4,5]C[6a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<4>,4|C<3>}	N[4,5](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[5]C[5]HH)2{3|C<4>,5|C<3>,8|H<1>}	117.0590	4.742	2	117.0590	22.485	2	117.0590	22.485	2	117.0590	22.485	2	117.0590	22.485	2	116.0291	14.766	22
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4,6]	4:3:3:1:	4:3:3:	4:4:4:3:	N[4,6]-4:C[4]-3:C[6a]-3:Cl-1:	B[4]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[6]-4:C[6]-4:C[4]-3:	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl)	C[6a](B[4]N[4,6]C[4]Cl)(C[6a]C[6a]C)2	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B)	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl){1|B<3>,2|C<3>,4|H<1>,6|C<4>}	C[6a](B[4]N[4,6]C[4]Cl)(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.9930	0.000	1	117.7605	1.178	2	117.7605	1.178	2	117.7605	1.178	2	116.6765	16.115	10	116.0291	14.766	22
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4,6]	4:3:3:1:	4:3:3:	4:4:4:3:	N[4,6]-4:C[4]-3:C[6a]-3:Cl-1:	B[4]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[6]-4:C[6]-4:C[4]-3:	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl)	C[6a](B[4]N[4,6]C[4]Cl)(C[6a]C[6a]C)2	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B)	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl){1|B<3>,2|C<3>,4|H<1>,6|C<4>}	C[6a](B[4]N[4,6]C[4]Cl)(C[6a]C[6a]C)2{1|N<3>,2|C<3>,4|C<4>}	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.5280	0.000	1	117.7605	1.178	2	117.7605	1.178	2	117.7605	1.178	2	116.6765	16.115	10	116.0291	14.766	22
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4,6]	4:3:3:4:	4:3:3:	4:4:4:4:	N[4,6]-4:C[6a]-3:C[6a]-3:C[4]-4:	B[4]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[4]-4:C[6]-4:C[6]-4:	B[4](N[4,6]C[4]C[6]2)(C[6a]C[6a]2)2(C[4]C[4]CC)	C[6a](B[4]N[4,6]C[6a]C[4])(C[6a]C[6a]F)2	N[4,6](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(C[6]C[6]HH)2	B[4](N[4,6]C[4]C[6]2)(C[6a]C[6a]2)2(C[4]C[4]CC){2|C<4>,4|F<1>,5|C<3>,5|H<1>}	C[6a](B[4]N[4,6]C[6a]C[4])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,5|C<4>}	N[4,6](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(C[6]C[6]HH)2{3|C<4>,4|H<1>,6|C<3>}	115.4860	9.021	2	115.4860	81.383	2	115.4860	81.383	2	115.4860	81.383	2	116.6765	16.115	10	116.0291	14.766	22
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4,6]	4:4:3:3:	4:3:3:	4:4:4:4:	C[4,6]-4:N[4,6]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:B[4]-4:C[6]-4:C[6]-4:	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,6]C[4,6,6]C[6]2)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,6]C[4,6,6]C[6]2)(C[6a]C[6a]2)2{4|C<4>,4|F<1>,5|C<3>,5|H<1>}	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<4>,4|C<3>}	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<4>,5|C<3>,8|H<1>}	117.7295	2.231	2	117.6655	6.415	4	117.6655	6.415	4	116.7120	11.457	6	116.6765	16.115	10	116.0291	14.766	22
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4,6]	4:4:3:3:	4:3:3:	4:4:4:4:	C[4,6]-4:N[4,6]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:B[4]-4:C[6]-4:C[6]-4:	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,6]C[4,6,6]C[6]2)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,6]C[4,6,6]C[6]2)(C[6a]C[6a]2)2{4|C<4>,4|F<1>,5|C<3>,5|H<1>}	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<4>,4|C<3>}	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{4|C<4>,5|C<3>,8|H<1>}	117.6015	3.775	2	117.6655	6.415	4	117.6655	6.415	4	116.7120	11.457	6	116.6765	16.115	10	116.0291	14.766	22
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4,6]	4:4:3:3:	4:3:3:	4:4:4:4:	C[4,6]-4:N[4,6]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:B[4]-4:C[6]-4:C[6]-4:	B[4](C[4,6]C[4,6]C[6]H)(N[4,6]C[4,6]C[6]2)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2	N[4,6](C[4,6]C[4,6]C[6]H)(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	B[4](C[4,6]C[4,6]C[6]H)(N[4,6]C[4,6]C[6]2)(C[6a]C[6a]2)2{4|C<3>,4|C<4>,4|F<1>,7|H<1>}	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>,4|C<4>}	N[4,6](C[4,6]C[4,6]C[6]H)(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{3|C<4>,4|C<3>,7|H<1>}	114.8050	5.209	2	114.8050	27.129	2	114.8050	27.129	2	116.7120	11.457	6	116.6765	16.115	10	116.0291	14.766	22
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4]	3:3:4:4:	4:3:3:	4:4:4:4:	C[6a]-3:C[6a]-3:C[4]-4:N[4]-4:	B[4]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[4]-4:C-4:C-4:	B[4](C[6a]C[6a]2)2(C[4]C[4]HH)(N[4]C[4]CC)	C[6a](B[4]C[6a]C[4]N[4])(C[6a]C[6a]F)2	N[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(CCHH)2	B[4](C[6a]C[6a]2)2(C[4]C[4]HH)(N[4]C[4]CC){1|H<1>,4|F<1>,5|C<3>}	C[6a](B[4]C[6a]C[4]N[4])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<3>,3|C<4>}	N[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(CCHH)2{2|H<1>,6|C<3>}	115.9748	4.069	6	115.9748	16.555	6	115.9748	16.555	6	115.9748	16.555	6	115.1757	14.330	10	116.0291	14.766	22
742	643	980	0:SP3_SP2_SP3	B[4]	C[6a]	N[4]	3:4:3:3:	4:3:3:	3:4:4:4:	C[4,6a]-3:N[4]-4:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[6a]-3:	C[4,6a]-3:B[4]-4:C-4:C-4:	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6a]C[6a]N[4])(C[6a]C[6a]F)2	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]C[6a]2)(CH3)2	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,6|C<3>}	C[6a](B[4]C[4,6a]C[6a]N[4])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]C[6a]2)(CH3)2{1|H<1>,6|C<3>}	113.9770	3.493	4	113.9770	12.204	4	113.9770	12.204	4	113.9770	12.204	4	115.1757	14.330	10	116.0291	14.766	22
742	762	846	6:SP3_SP2_SP2	B[4,6]	C[6]	C[4,6]	3:4:3:3:	4:3:3:	4:3:3:	C[4,6]-3:P[4]-4:C[6]-3:C[6a]-3:	B[4,6]-4:C[6]-3:C[6a]-3:	B[4,6]-4:C[6,6a]-3:C[4]-3:	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[4,6]C[4,6]C[6a]P[4])(C[6]C[6,6a]Si)(C[6a]C[6a]2)	C[4,6](B[4,6]C[6a]C[6]P[4])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]P[4])	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,1|Si<4>,2|F<1>}	C[6](B[4,6]C[4,6]C[6a]P[4])(C[6]C[6,6a]Si)(C[6a]C[6a]2){2|F<1>,9|C<3>}	C[4,6](B[4,6]C[6a]C[6]P[4])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]P[4]){10|C<3>,1|H<1>}	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1
742	762	917	0:SP3_SP2_SP3	B[4,6]	C[6]	P[4]	3:4:3:3:	4:3:3:	4:3:3:3:	C[4,6]-3:P[4]-4:C[6]-3:C[6a]-3:	B[4,6]-4:C[6]-3:C[6a]-3:	B[4,6]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[4,6]C[4,6]C[6a]P[4])(C[6]C[6,6a]Si)(C[6a]C[6a]2)	P[4](B[4,6]C[4,6]C[6a]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)2	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,1|Si<4>,2|F<1>}	C[6](B[4,6]C[4,6]C[6a]P[4])(C[6]C[6,6a]Si)(C[6a]C[6a]2){2|F<1>,9|C<3>}	P[4](B[4,6]C[4,6]C[6a]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)2{11|C<3>,2|C<4>,2|F<1>}	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1
742	769	769	4:SP3_SP2_SP2	B[4]	C[4,6a]	C[4,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	C[4,6a,6a]-3:B[4]-4:C[6a]-3:	C[4,6a,6a]-3:B[4]-4:C[6a]-3:	B[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a]2)2	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(B[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(B[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	B[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a]2)2{2|H<1>,4|C<4>,7|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(B[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(B[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	80.5040	0.000	1	80.5040	0.000	1	80.5040	0.000	1	80.5040	0.000	1	80.5040	0.000	1	80.5040	0.000	1
742	769	790	0:SP3_SP-NON_SP2	B[4]	C[4,6a]	Cl	3:4:1:1:	3:4:3:	4:	C[4,6a]-3:N[4]-4:Cl-1:Cl-1:	C[4,6a]-3:B[4]-4:C[6a]-3:	B[4]-4:	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(Cl)2	C[4,6a](C[4,6a]C[6a]N[4])(B[4]N[4]Cl2)(C[6a]C[6a]H)	Cl(B[4]C[4,6a]N[4]Cl)	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(Cl)2{1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[6a]N[4])(B[4]N[4]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Cl(B[4]C[4,6a]N[4]Cl)	118.3465	0.312	2	118.3465	0.097	2	118.3465	0.097	2	118.3465	0.097	2	118.3465	0.097	2	118.3465	0.097	2
742	769	980	4:SP3_SP2_SP3	B[4]	C[4,6a]	N[4]	3:4:1:1:	3:4:3:	3:4:4:4:	C[4,6a]-3:N[4]-4:Cl-1:Cl-1:	C[4,6a]-3:B[4]-4:C[6a]-3:	C[4,6a]-3:B[4]-4:C-4:C-4:	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(Cl)2	C[4,6a](C[4,6a]C[6a]N[4])(B[4]N[4]Cl2)(C[6a]C[6a]H)	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]Cl2)(CH3)2	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(Cl)2{1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[6a]N[4])(B[4]N[4]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]Cl2)(CH3)2{1|H<1>,2|C<3>}	83.8095	0.000	1	83.8095	0.000	1	83.8095	0.000	1	83.8095	0.000	1	82.5113	1.437	3	82.5113	1.437	3
742	769	980	4:SP3_SP2_SP3	B[4]	C[4,6a]	N[4]	3:4:3:3:	3:4:3:	3:4:4:4:	C[4,6a]-3:N[4]-4:C[6a]-3:C[6a]-3:	C[4,6a]-3:B[4]-4:C[6a]-3:	C[4,6a]-3:B[4]-4:C-4:C-4:	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(C[6a]C[6a]2)2	C[4,6a](C[4,6a]C[6a]N[4])(B[4]C[6a]2N[4])(C[6a]C[6a]H)	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]C[6a]2)(CH3)2	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,6|C<3>}	C[4,6a](C[4,6a]C[6a]N[4])(B[4]C[6a]2N[4])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]C[6a]2)(CH3)2{1|H<1>,6|C<3>}	81.8623	0.589	2	81.8623	0.347	2	81.8623	0.347	2	81.8623	0.347	2	82.5113	1.437	3	82.5113	1.437	3
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](N[4]B[4]Si)2(Cl)2	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	B[4](N[4]B[4]Si)2(Cl)2{2|Cl<1>}	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	111.0100	0.000	1	111.0100	0.000	1	109.6604	3.598	7	109.6604	3.598	7	109.5341	4.439	12	109.5341	4.439	12
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](N[4]C[4]C[6])2(Cl)2	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	B[4](N[4]C[4]C[6])2(Cl)2{1|N<3>,2|H<1>,4|C<4>}	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	108.8965	0.218	2	109.6630	1.786	3	109.6604	3.598	7	109.6604	3.598	7	109.5341	4.439	12	109.5341	4.439	12
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](N[4]C[4]C[6])2(Cl)2	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	B[4](N[4]C[4]C[6])2(Cl)2{2|H<1>,5|C<4>}	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	111.1960	0.000	1	109.6630	1.786	3	109.6604	3.598	7	109.6604	3.598	7	109.5341	4.439	12	109.5341	4.439	12
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](N[4]C[6a]C[4])2(Cl)2	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	B[4](N[4]C[6a]C[4])2(Cl)2{1|N<3>,4|C<3>}	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	110.8030	0.563	2	110.8030	0.317	2	109.6604	3.598	7	109.6604	3.598	7	109.5341	4.439	12	109.5341	4.439	12
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	B[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)2{4|C<3>}	Cl(B[4]N[4]2Cl)	Cl(B[4]N[4]2Cl)	106.0180	0.000	1	106.0180	0.000	1	109.6604	3.598	7	109.6604	3.598	7	109.5341	4.439	12	109.5341	4.439	12
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	3:4:1:1:	4:	4:	C[4,6a]-3:N[4]-4:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(Cl)2	Cl(B[4]C[4,6a]N[4]Cl)	Cl(B[4]C[4,6a]N[4]Cl)	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(Cl)2{1|H<1>,2|C<3>}	Cl(B[4]C[4,6a]N[4]Cl)	Cl(B[4]C[4,6a]N[4]Cl)	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4935	0.383	4	109.5341	4.439	12	109.5341	4.439	12
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	3:4:1:1:	4:	4:	N[4,6]-3:C[4]-4:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HP)(Cl)2	Cl(B[4]N[4,6]C[4]Cl)	Cl(B[4]N[4,6]C[4]Cl)	B[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HP)(Cl)2{1|C<4>,2|C<3>}	Cl(B[4]N[4,6]C[4]Cl)	Cl(B[4]N[4,6]C[4]Cl)	110.8965	0.487	2	110.8965	0.237	2	110.8965	0.237	2	110.4935	0.383	4	109.5341	4.439	12	109.5341	4.439	12
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	3:4:1:1:	4:	4:	N[4]-3:C[4]-4:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](N[4]C[6a]C[4])(C[4]C[4]CH)(Cl)2	Cl(B[4]C[4]N[4]Cl)	Cl(B[4]C[4]N[4]Cl)	B[4](N[4]C[6a]C[4])(C[4]C[4]CH)(Cl)2{1|C<4>,2|C<3>}	Cl(B[4]C[4]N[4]Cl)	Cl(B[4]C[4]N[4]Cl)	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	110.4935	0.383	4	109.5341	4.439	12	109.5341	4.439	12
742	790	790	0:SP3_SP-NON_SP-NON	B[4]	Cl	Cl	4:4:1:1:	4:	4:	P[4]-4:P[4]-4:Cl-1:Cl-1:	B[4]-4:	B[4]-4:	B[4](P[4]B[4]CC)2(Cl)2	Cl(B[4]P[4]2Cl)	Cl(B[4]P[4]2Cl)	B[4](P[4]B[4]CC)2(Cl)2{2|Cl<1>}	Cl(B[4]P[4]2Cl)	Cl(B[4]P[4]2Cl)	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	109.5341	4.439	12	109.5341	4.439	12
742	790	846	0:SP3_SP-NON_SP2	B[4]	Cl	C[4]	4:3:3:1:	4:	4:3:3:	N[4,6]-4:C[4]-3:C[6a]-3:Cl-1:	B[4]-4:	B[4]-4:C[4]-3:N[6]-3:	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl)	Cl(B[4]N[4,6]C[6a]C[4])	C[4](B[4]N[4,6]C[6a]Cl)(C[4]N[4,6]B)(N[6]C[6]2)	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl){1|B<3>,2|C<3>,4|H<1>,6|C<4>}	Cl(B[4]N[4,6]C[6a]C[4])	C[4](B[4]N[4,6]C[6a]Cl)(C[4]N[4,6]B)(N[6]C[6]2){2|C<3>,4|C<4>,4|H<1>}	103.7005	1.190	2	103.7005	1.416	2	103.7005	1.416	2	103.7005	1.416	2	103.7005	1.416	2	103.7005	1.416	2
742	790	917	0:SP3_SP-NON_SP3	B[4]	Cl	P[4]	4:4:1:1:	4:	4:4:4:4:	P[4]-4:P[4]-4:Cl-1:Cl-1:	B[4]-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(Cl)2	Cl(B[4]P[4]2Cl)	P[4](B[4]P[4]Cl2)2(CC3)2	B[4](P[4]B[4]CC)2(Cl)2{2|Cl<1>}	Cl(B[4]P[4]2Cl)	P[4](B[4]P[4]Cl2)2(CC3)2{2|C<4>}	115.3092	1.319	4	115.3092	1.739	4	115.3092	1.739	4	115.3092	1.739	4	109.3611	41.555	8	109.3611	41.555	8
742	790	917	0:SP3_SP-NON_SP3	B[4]	Cl	P[4]	4:4:4:1:	4:	4:4:4:4:	P[4]-4:P[4]-4:C-4:Cl-1:	B[4]-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(CC3)(Cl)	Cl(B[4]P[4]2C)	P[4](B[4]P[4]ClC)2(CCCH)2	B[4](P[4]B[4]CC)2(CC3)(Cl){1|Cl<1>,1|C<4>}	Cl(B[4]P[4]2C)	P[4](B[4]P[4]ClC)2(CCCH)2{2|C<4>}	103.4130	0.935	4	103.4130	0.875	4	103.4130	0.875	4	103.4130	0.875	4	109.3611	41.555	8	109.3611	41.555	8
742	790	956	0:SP3_SP-NON_SP2	B[4]	Cl	N	3:3:3:1:	4:	4:3:4:	N[4,6]-3:N[4]-3:N-3:Cl-1:	B[4]-4:	B[4]-4:C[6]-3:Si-4:	B[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]Si)(NC[6]Si)(Cl)	Cl(B[4]N[4,6]N[4]N)	N(B[4]N[4,6]N[4]Cl)(C[6]N[4,6]C[6])(SiC3)	B[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]Si)(NC[6]Si)(Cl){1|N<3>,2|C<3>}	Cl(B[4]N[4,6]N[4]N)	N(B[4]N[4,6]N[4]Cl)(C[6]N[4,6]C[6])(SiC3)	113.4587	0.109	3	113.4587	0.012	3	113.4587	0.012	3	113.4587	0.012	3	113.4587	0.012	3	113.4587	0.012	3
742	790	980	0:SP3_SP-NON_SP3	B[4]	Cl	N[4,6]	4:3:3:1:	4:	4:4:4:3:	N[4,6]-4:C[4]-3:C[6a]-3:Cl-1:	B[4]-4:	B[4]-4:C[6]-4:C[6]-4:C[4]-3:	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl)	Cl(B[4]N[4,6]C[6a]C[4])	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B)	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl){1|B<3>,2|C<3>,4|H<1>,6|C<4>}	Cl(B[4]N[4,6]C[6a]C[4])	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.4690	0.054	2	110.4690	0.003	2	110.4690	0.003	2	110.4690	0.003	2	110.4690	0.003	2	110.9493	0.322	4
742	790	980	0:SP3_SP-NON_SP3	B[4]	Cl	N[4]	3:4:1:1:	4:	3:4:4:4:	C[4,6a]-3:N[4]-4:Cl-1:Cl-1:	B[4]-4:	C[4,6a]-3:B[4]-4:C-4:C-4:	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(Cl)2	Cl(B[4]C[4,6a]N[4]Cl)	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]Cl2)(CH3)2	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(Cl)2{1|H<1>,2|C<3>}	Cl(B[4]C[4,6a]N[4]Cl)	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]Cl2)(CH3)2{1|H<1>,2|C<3>}	111.4295	0.199	2	111.4295	0.039	2	111.4295	0.039	2	111.4295	0.039	2	111.4295	0.039	2	110.9493	0.322	4
742	818	866	0:SP3_SP2_SP3	B[4]	C[5]	S[4]	3:2:2:2:	3:4:4:	4:4:	C[5]-3:S[4]-2:S[4]-2:C-2:	N[5]-3:B[4]-4:C[5]-4:	B[4]-4:B[4]-4:	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC)	S[4](B[4]C[5]S[4]C)2	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	S[4](B[4]C[5]S[4]C)2{2|C<4>,2|N<3>}	112.6890	10.308	2	112.6890	106.259	2	112.6890	106.259	2	112.6890	106.259	2	111.6333	37.466	4	111.6333	37.466	4
742	818	866	0:SP3_SP2_SP3	B[4]	C[5]	S[4]	3:2:2:4:	4:3:3:	4:4:	C[5]-3:S[4]-2:S[4]-2:C-4:	B[4]-4:N[5]-3:N[5]-3:	B[4]-4:B[4]-4:	B[4](C[5]N[5]2)(S[4]B[4])2(CC3)	C[5](B[4]S[4]2C)(N[5]C[5]C)2	S[4](B[4]C[5]S[4]C)2	B[4](C[5]N[5]2)(S[4]B[4])2(CC3){3|C<3>,3|C<4>}	C[5](B[4]S[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	S[4](B[4]C[5]S[4]C)2{4|N<3>}	110.5775	1.296	2	110.5775	1.680	2	110.5775	1.680	2	110.5775	1.680	2	111.6333	37.466	4	111.6333	37.466	4
742	818	949	0:SP3_SP2_SP3	B[4]	C[5]	Se[4]	3:2:2:2:	3:4:4:	4:4:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	N[5]-3:B[4]-4:C[5]-4:	B[4]-4:B[4]-4:	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	Se[4](B[4]Se[4]C[5]C)2	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	Se[4](B[4]Se[4]C[5]C)2{2|C<4>,2|N<3>}	103.1860	0.000	1	110.4197	40.453	3	110.4197	40.453	3	110.4197	40.453	3	110.3302	9.629	11	110.3302	9.629	11
742	818	949	0:SP3_SP2_SP3	B[4]	C[5]	Se[4]	3:2:2:2:	3:4:4:	4:4:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	N[5]-3:B[4]-4:C[5]-4:	B[4]-4:B[4]-4:	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	Se[4](B[4]Se[4]C[5]C)2	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){2|C<3>,5|C<4>}	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	Se[4](B[4]Se[4]C[5]C)2{1|C<4>,3|N<3>}	114.0365	1.555	2	110.4197	40.453	3	110.4197	40.453	3	110.4197	40.453	3	110.3302	9.629	11	110.3302	9.629	11
742	818	949	0:SP3_SP2_SP3	B[4]	C[5]	Se[4]	3:2:2:4:	4:3:3:	4:3:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	B[4]-4:N[5]-3:N[5]-3:	B[4]-4:B[4]-3:	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4])	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){2|C<4>,3|C<3>}	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<3>,2|H<1>}	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4]){2|C<3>,2|N<3>}	109.3770	1.352	2	109.3770	1.828	2	110.5175	3.593	4	110.5175	3.593	4	110.3302	9.629	11	110.3302	9.629	11
742	818	949	0:SP3_SP2_SP3	B[4]	C[5]	Se[4]	3:2:2:4:	4:3:3:	4:3:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	B[4]-4:N[5]-3:N[5]-3:	B[4]-4:B[4]-3:	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N)	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){1|N<3>,2|C<3>,2|C<4>}	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<3>,2|H<1>}	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N){2|N<3>}	111.6580	1.936	2	111.6580	3.748	2	110.5175	3.593	4	110.5175	3.593	4	110.3302	9.629	11	110.3302	9.629	11
742	818	949	0:SP3_SP2_SP3	B[4]	C[5]	Se[4]	3:2:2:4:	4:3:3:	4:4:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	B[4]-4:N[5]-3:N[5]-3:	B[4]-4:B[4]-4:	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	Se[4](B[4]Se[4]C[5]C)2	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){1|C<2>,2|C<4>,3|C<3>}	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	Se[4](B[4]Se[4]C[5]C)2{1|C<4>,3|N<3>}	109.5995	1.759	2	110.0757	1.394	4	110.0757	1.394	4	110.0757	1.394	4	110.3302	9.629	11	110.3302	9.629	11
742	818	949	0:SP3_SP2_SP3	B[4]	C[5]	Se[4]	3:2:2:4:	4:3:3:	4:4:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	B[4]-4:N[5]-3:N[5]-3:	B[4]-4:B[4]-4:	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	Se[4](B[4]Se[4]C[5]C)2	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){3|C<3>,3|C<4>}	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	Se[4](B[4]Se[4]C[5]C)2{4|N<3>}	110.5520	0.429	2	110.0757	1.394	4	110.0757	1.394	4	110.0757	1.394	4	110.3302	9.629	11	110.3302	9.629	11
742	818	983	0:SP3_SP1_SP2	B[4]	C[5]	C	3:2:2:2:	3:4:4:	4:1:	C[5]-3:S[4]-2:S[4]-2:C-2:	N[5]-3:B[4]-4:C[5]-4:	B[4]-4:N-1:	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC)	C(B[4]C[5]S[4]2)(N)	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C(B[4]C[5]S[4]2)(N)	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	115.1393	7.186	3	115.1393	7.186	3	115.1393	7.186	3
742	818	983	0:SP3_SP1_SP2	B[4]	C[5]	C	3:2:2:2:	3:4:4:	4:1:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	N[5]-3:B[4]-4:C[5]-4:	B[4]-4:N-1:	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	C(B[4]Se[4]2C[5])(N)	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C(B[4]Se[4]2C[5])(N)	115.0130	0.000	1	116.4470	4.113	2	116.4470	4.113	2	115.1393	7.186	3	115.1393	7.186	3	115.1393	7.186	3
742	818	983	0:SP3_SP1_SP2	B[4]	C[5]	C	3:2:2:2:	3:4:4:	4:1:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	N[5]-3:B[4]-4:C[5]-4:	B[4]-4:N-1:	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	C(B[4]Se[4]2C[5])(N)	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){2|C<3>,5|C<4>}	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C(B[4]Se[4]2C[5])(N)	117.8810	0.000	1	116.4470	4.113	2	116.4470	4.113	2	115.1393	7.186	3	115.1393	7.186	3	115.1393	7.186	3
742	830	830	0:SP3_SP-NON_SP-NON	B[4]	F	F	3:3:1:1:	4:	4:	O[4]-3:O[4]-3:F-1:F-1:	B[4]-4:	B[4]-4:	B[4](O[4]B[4]B)2(F)2	F(B[4]O[4]2F)	F(B[4]O[4]2F)	B[4](O[4]B[4]B)2(F)2{2|F<1>}	F(B[4]O[4]2F)	F(B[4]O[4]2F)	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	111.6520	0.338	2	111.6520	0.338	2
742	830	830	0:SP3_SP-NON_SP-NON	B[4]	F	F	4:4:1:1:	4:	4:	C[4,5]-4:N[4,6]-4:F-1:F-1:	B[4]-4:	B[4]-4:	B[4](C[4,5]C[4,5]C[5]N[6])(N[4,6]C[4,5]C[6]2)(F)2	F(B[4]C[4,5]N[4,6]F)	F(B[4]C[4,5]N[4,6]F)	B[4](C[4,5]C[4,5]C[5]N[6])(N[4,6]C[4,5]C[6]2)(F)2{1|B<4>,1|C<3>,1|N<3>,4|C<4>,4|H<1>}	F(B[4]C[4,5]N[4,6]F)	F(B[4]C[4,5]N[4,6]F)	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	111.6520	0.338	2	111.6520	0.338	2
742	830	897	0:SP3_SP-NON_SP3	B[4]	F	O[4]	3:3:1:1:	4:	4:4:4:	O[4]-3:O[4]-3:F-1:F-1:	B[4]-4:	B[4]-4:B[4]-4:B-4:	B[4](O[4]B[4]B)2(F)2	F(B[4]O[4]2F)	O[4](B[4]O[4]FF)2(BF3)	B[4](O[4]B[4]B)2(F)2{2|F<1>}	F(B[4]O[4]2F)	O[4](B[4]O[4]FF)2(BF3){1|B<4>}	113.5203	0.469	4	113.5203	0.220	4	113.5203	0.220	4	113.5203	0.220	4	113.5203	0.220	4	113.5203	0.220	4
742	830	980	0:SP3_SP-NON_SP3	B[4]	F	N[4,6]	4:4:1:1:	4:	3:4:4:4:	C[4,5]-4:N[4,6]-4:F-1:F-1:	B[4]-4:	C[4,5]-3:B[4]-4:C[6]-4:C[6]-4:	B[4](C[4,5]C[4,5]C[5]N[6])(N[4,6]C[4,5]C[6]2)(F)2	F(B[4]C[4,5]N[4,6]F)	N[4,6](C[4,5]C[4,5]C[5])(B[4]C[4,5]FF)(C[6]C[6]HH)2	B[4](C[4,5]C[4,5]C[5]N[6])(N[4,6]C[4,5]C[6]2)(F)2{1|B<4>,1|C<3>,1|N<3>,4|C<4>,4|H<1>}	F(B[4]C[4,5]N[4,6]F)	N[4,6](C[4,5]C[4,5]C[5])(B[4]C[4,5]FF)(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	108.8830	2.732	2	108.8830	7.465	2	108.8830	7.465	2	108.8830	7.465	2	108.8830	7.465	2	108.8830	7.465	2
742	846	917	4:SP3_SP2_SP3	B[4,6]	C[4,6]	P[4]	3:4:3:3:	4:3:3:	4:3:3:3:	C[4,6]-3:P[4]-4:C[6]-3:C[6a]-3:	B[4,6]-4:C[6,6a]-3:C[4]-3:	B[4,6]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[4,6](B[4,6]C[6a]C[6]P[4])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]P[4])	P[4](B[4,6]C[4,6]C[6a]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)2	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,1|Si<4>,2|F<1>}	C[4,6](B[4,6]C[6a]C[6]P[4])(C[6,6a]C[6,6a]C[6a])(C[4]C[6a]P[4]){10|C<3>,1|H<1>}	P[4](B[4,6]C[4,6]C[6a]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)2{11|C<3>,2|C<4>,2|F<1>}	77.0591	0.000	1	77.0591	0.000	1	77.0591	0.000	1	77.0591	0.000	1	77.0591	0.000	1	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:H-1:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]H)	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]H){1|Si<4>,4|F<1>,8|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(H){6|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si){5|H<1>,8|C<3>}	78.7332	0.324	2	78.7332	0.105	2	78.7332	0.105	2	78.7332	0.105	2	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[4]-3:C[6a]-3:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(C[6a]C[6a]2)	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{11|C<3>,4|F<1>}	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(C[6a]C[6a]2){10|C<3>,2|F<1>}	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{11|C<3>,4|C<4>}	79.0895	0.110	2	79.1393	0.013	3	79.1393	0.013	3	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[4]-3:C[6a]-3:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(C[6a]C[6a]2)	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{11|C<3>,4|F<1>}	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(C[6a]C[6a]2){10|C<3>,2|F<1>}	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{11|C<3>,4|H<1>}	79.2389	0.000	1	79.1393	0.013	3	79.1393	0.013	3	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[4](B[4]C[6a]2P[4])(C[6a]C[6a]2)(C[4]P[4]C)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{10|C<3>,1|C<4>,4|F<1>}	C[4](B[4]C[6a]2P[4])(C[6a]C[6a]2)(C[4]P[4]C){2|F<1>,8|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|H<1>,9|C<3>}	78.9658	0.233	2	78.9658	0.055	2	79.2460	0.263	3	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[4](B[4]C[6a]2P[4])(C[6a]C[6a]2)(C[4]P[4]H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]H)	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{10|C<3>,1|H<1>,4|F<1>}	C[4](B[4]C[6a]2P[4])(C[6a]C[6a]2)(C[4]P[4]H){2|F<1>,8|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]H){4|H<1>,9|C<3>}	79.8063	0.000	1	79.8063	0.000	1	79.2460	0.263	3	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:C-3:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[4](B[4]C[6a]2P[4])(C[4]C[6]P[4])(CCH)	P[4](B[4]C[6a]2C[4])(C[4]C[4]C[6])(C[6a]C[6a]2)2	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|F<1>,9|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]C[6]P[4])(CCH){1|C<4>,7|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[4]C[6])(C[6a]C[6a]2)2{10|C<3>,1|C<4>,4|H<1>}	80.0881	0.000	1	79.1734	1.673	2	79.5126	0.720	4	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:C-3:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[4](B[4]C[6a]2P[4])(C[4]C[6]P[4])(CCH)	P[4](B[4]C[6a]2C[4])(C[4]C[4]C[6])(C[6a]C[6a]2)2	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|F<1>,9|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]C[6]P[4])(CCH){1|C<4>,7|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[4]C[6])(C[6a]C[6a]2)2{10|C<3>,5|C<4>}	78.2587	0.000	1	79.1734	1.673	2	79.5126	0.720	4	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:C-3:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(CCH)	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|F<1>,9|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(CCH){8|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{11|C<3>,4|H<1>}	79.8519	0.166	2	79.8519	0.027	2	79.5126	0.720	4	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:C-3:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[4](B[4]C[6a]2P[4])(C[4]P[4]C)(CCH)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|F<1>,9|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]P[4]C)(CCH){6|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|C<4>,9|C<3>}	78.3975	0.473	3	78.7019	0.520	4	78.7019	0.520	4	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:3:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:C-3:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[4](B[4]C[6a]2P[4])(C[4]P[4]C)(CCH)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|F<1>,9|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]P[4]C)(CCH){6|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|H<1>,9|C<3>}	79.6151	0.000	1	78.7019	0.520	4	78.7019	0.520	4	79.1438	0.433	14	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:4:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:C-4:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(CH3)	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|F<1>,9|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]C[6a]P[4])(CH3){8|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{10|C<3>,1|C<4>,4|H<1>}	79.0849	0.000	1	79.0849	0.000	1	79.0849	0.000	1	78.7072	0.082	5	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:4:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:C-4:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){1|Si<4>,4|F<1>,8|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH){6|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si){1|C<4>,4|H<1>,8|C<3>}	78.7232	0.049	3	78.6128	0.050	4	78.6128	0.050	4	78.7072	0.082	5	79.0008	0.346	21	78.9125	0.501	22
742	846	917	4:SP3_SP2_SP3	B[4]	C[4]	P[4]	4:3:3:3:	4:3:4:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4]-4:C[4]-3:C-4:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){1|Si<4>,4|F<1>,8|C<3>}	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH){6|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si){2|H<1>,3|C<4>,8|C<3>}	78.2815	0.000	1	78.6128	0.050	4	78.6128	0.050	4	78.7072	0.082	5	79.0008	0.346	21	78.9125	0.501	22
742	846	980	4:SP3_SP2_SP3	B[4]	C[4]	N[4,6]	4:3:3:1:	4:3:3:	4:4:4:3:	N[4,6]-4:C[4]-3:C[6a]-3:Cl-1:	B[4]-4:C[4]-3:N[6]-3:	B[4]-4:C[6]-4:C[6]-4:C[4]-3:	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl)	C[4](B[4]N[4,6]C[6a]Cl)(C[4]N[4,6]B)(N[6]C[6]2)	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B)	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl){1|B<3>,2|C<3>,4|H<1>,6|C<4>}	C[4](B[4]N[4,6]C[6a]Cl)(C[4]N[4,6]B)(N[6]C[6]2){2|C<3>,4|C<4>,4|H<1>}	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	81.9441	0.145	2	81.9441	0.021	2	81.9441	0.021	2	81.9441	0.021	2	81.9441	0.021	2	81.9441	0.021	2
742	866	866	4:SP3_SP3_SP3	B[4]	S[4]	S[4]	3:2:2:2:	4:4:	4:4:	C[5]-3:S[4]-2:S[4]-2:C-2:	B[4]-4:B[4]-4:	B[4]-4:B[4]-4:	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN)	S[4](B[4]C[5]S[4]C)2	S[4](B[4]C[5]S[4]C)2	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	S[4](B[4]C[5]S[4]C)2{2|C<4>,2|N<3>}	S[4](B[4]C[5]S[4]C)2{2|C<4>,2|N<3>}	94.7676	0.000	1	94.7676	0.000	1	94.7676	0.000	1	94.7676	0.000	1	94.6179	0.045	2	94.6179	0.045	2
742	866	866	4:SP3_SP3_SP3	B[4]	S[4]	S[4]	3:2:2:4:	4:4:	4:4:	C[5]-3:S[4]-2:S[4]-2:C-4:	B[4]-4:B[4]-4:	B[4]-4:B[4]-4:	B[4](C[5]N[5]2)(S[4]B[4])2(CC3)	S[4](B[4]C[5]S[4]C)2	S[4](B[4]C[5]S[4]C)2	B[4](C[5]N[5]2)(S[4]B[4])2(CC3){3|C<3>,3|C<4>}	S[4](B[4]C[5]S[4]C)2{4|N<3>}	S[4](B[4]C[5]S[4]C)2{4|N<3>}	94.4682	0.000	1	94.4682	0.000	1	94.4682	0.000	1	94.4682	0.000	1	94.6179	0.045	2	94.6179	0.045	2
742	866	983	0:SP3_SP1_SP3	B[4]	S[4]	C	3:2:2:2:	4:4:	4:1:	C[5]-3:S[4]-2:S[4]-2:C-2:	B[4]-4:B[4]-4:	B[4]-4:N-1:	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN)	S[4](B[4]C[5]S[4]C)2	C(B[4]C[5]S[4]2)(N)	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	S[4](B[4]C[5]S[4]C)2{2|C<4>,2|N<3>}	C(B[4]C[5]S[4]2)(N)	111.3675	2.051	2	111.3675	4.208	2	111.3675	4.208	2	111.3675	4.208	2	111.3675	4.208	2	111.3675	4.208	2
742	893	917	0:SP3_SP3_SP3	B[4]	O	P[4]	4:4:4:2:	4:4:	4:4:4:4:	P[4]-4:P[4]-4:C-4:O-2:	B[4]-4:S-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(CCHH)(OS)	O(B[4]P[4]2C)(SCOO)	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2	B[4](P[4]B[4]CC)2(CCHH)(OS){1|C<4>,1|H<1>}	O(B[4]P[4]2C)(SCOO)	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2{2|C<4>}	109.9510	3.275	2	109.9510	10.728	2	109.9510	10.728	2	109.9510	10.728	2	109.9510	10.728	2	109.9510	10.728	2
742	897	897	4:SP3_SP3_SP3	B[4]	O[4]	O[4]	3:3:1:1:	4:4:4:	4:4:4:	O[4]-3:O[4]-3:F-1:F-1:	B[4]-4:B[4]-4:B-4:	B[4]-4:B[4]-4:B-4:	B[4](O[4]B[4]B)2(F)2	O[4](B[4]O[4]FF)2(BF3)	O[4](B[4]O[4]FF)2(BF3)	B[4](O[4]B[4]B)2(F)2{2|F<1>}	O[4](B[4]O[4]FF)2(BF3){1|B<4>}	O[4](B[4]O[4]FF)2(BF3){1|B<4>}	88.8278	0.000	1	88.8278	0.000	1	88.8278	0.000	1	88.8278	0.000	1	88.8278	0.000	1	88.8278	0.000	1
742	917	917	4:SP3_SP3_SP3	B[3x4]	P[4,4]	P[4,4]	4:4:2:4:	4:4:4:4:	4:4:4:4:	P[4,4]-4:P[4,4]-4:Se[4,4]-2:C-4:	B[3x4]-4:B[3x4]-4:C-4:C-4:	B[3x4]-4:B[3x4]-4:C-4:C-4:	B[3x4](P[4,4]B[3x4]CC)2(Se[4,4]B[3x4])(CC3)	P[4,4](B[3x4]Se[4,4]P[4,4]C)2(CCCH)2	P[4,4](B[3x4]Se[4,4]P[4,4]C)2(CCCH)2	B[3x4](P[4,4]B[3x4]CC)2(Se[4,4]B[3x4])(CC3){1|C<4>}	P[4,4](B[3x4]Se[4,4]P[4,4]C)2(CCCH)2{2|C<4>}	P[4,4](B[3x4]Se[4,4]P[4,4]C)2(CCCH)2{2|C<4>}	87.8656	0.097	2	87.8656	0.009	2	87.8656	0.009	2	87.8656	0.009	2	87.8656	0.009	2	88.5596	1.601	11
742	917	917	4:SP3_SP3_SP3	B[4]	P[4]	P[4]	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[6a]-3:C[6a]-3:P[4]-4:P[4]-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](C[6a]C[6a]2)2(P[4]B[4]CC)2	P[4](B[4]C[6a]2P[4])2(CCHH)2	P[4](B[4]C[6a]2P[4])2(CCHH)2	B[4](C[6a]C[6a]2)2(P[4]B[4]CC)2{4|F<1>,6|C<3>}	P[4](B[4]C[6a]2P[4])2(CCHH)2{2|C<4>,8|C<3>}	P[4](B[4]C[6a]2P[4])2(CCHH)2{2|C<4>,8|C<3>}	87.6927	0.000	2	87.6927	0.000	2	87.6927	0.000	2	87.6927	0.000	2	88.7138	1.853	9	88.5596	1.601	11
742	917	917	4:SP3_SP3_SP3	B[4]	P[4]	P[4]	4:4:1:1:	4:4:4:4:	4:4:4:4:	P[4]-4:P[4]-4:Cl-1:Cl-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(Cl)2	P[4](B[4]P[4]Cl2)2(CC3)2	P[4](B[4]P[4]Cl2)2(CC3)2	B[4](P[4]B[4]CC)2(Cl)2{2|Cl<1>}	P[4](B[4]P[4]Cl2)2(CC3)2{2|C<4>}	P[4](B[4]P[4]Cl2)2(CC3)2{2|C<4>}	90.9880	0.000	1	90.9880	0.000	1	90.9880	0.000	1	90.9880	0.000	1	88.7138	1.853	9	88.5596	1.601	11
742	917	917	4:SP3_SP3_SP3	B[4]	P[4]	P[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	P[4]-4:P[4]-4:C-4:Br-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(CC3)(Br)	P[4](B[4]P[4]BrC)2(CCCH)2	P[4](B[4]P[4]BrC)2(CCCH)2	B[4](P[4]B[4]CC)2(CC3)(Br){1|Br<1>,1|C<4>}	P[4](B[4]P[4]BrC)2(CCCH)2{2|C<4>}	P[4](B[4]P[4]BrC)2(CCCH)2{2|C<4>}	90.0331	0.000	1	90.0331	0.000	1	90.0331	0.000	1	88.9582	1.289	5	88.7138	1.853	9	88.5596	1.601	11
742	917	917	4:SP3_SP3_SP3	B[4]	P[4]	P[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	P[4]-4:P[4]-4:C-4:Cl-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(CC3)(Cl)	P[4](B[4]P[4]ClC)2(CCCH)2	P[4](B[4]P[4]ClC)2(CCCH)2	B[4](P[4]B[4]CC)2(CC3)(Cl){1|Cl<1>,1|C<4>}	P[4](B[4]P[4]ClC)2(CCCH)2{2|C<4>}	P[4](B[4]P[4]ClC)2(CCCH)2{2|C<4>}	88.3806	0.102	2	88.3806	0.010	2	88.3806	0.010	2	88.9582	1.289	5	88.7138	1.853	9	88.5596	1.601	11
742	917	917	4:SP3_SP3_SP3	B[4]	P[4]	P[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	P[4]-4:P[4]-4:C-4:H-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(CC3)(H)	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2	B[4](P[4]B[4]CC)2(CC3)(H){1|C<4>,1|O<2>}	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2{2|C<4>}	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2{2|C<4>}	90.2866	0.000	1	90.2866	0.000	1	88.9984	3.319	2	88.9582	1.289	5	88.7138	1.853	9	88.5596	1.601	11
742	917	917	4:SP3_SP3_SP3	B[4]	P[4]	P[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	P[4]-4:P[4]-4:C-4:H-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(CC3)(H)	P[4](B[4]P[4]SnC)(B[4]P[4]CH)(CCCH)2	P[4](B[4]P[4]SnC)(B[4]P[4]CH)(CCCH)2	B[4](P[4]B[4]CC)2(CC3)(H){1|Sn<4>,1|C<4>}	P[4](B[4]P[4]SnC)(B[4]P[4]CH)(CCCH)2{2|C<4>}	P[4](B[4]P[4]SnC)(B[4]P[4]CH)(CCCH)2{2|C<4>}	87.7101	0.000	1	87.7101	0.000	1	88.9984	3.319	2	88.9582	1.289	5	88.7138	1.853	9	88.5596	1.601	11
742	917	917	4:SP3_SP3_SP3	B[4]	P[4]	P[4]	4:4:4:2:	4:4:4:4:	4:4:4:4:	P[4]-4:P[4]-4:C-4:O-2:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](P[4]B[4]CC)2(CCHH)(OS)	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2	B[4](P[4]B[4]CC)2(CCHH)(OS){1|C<4>,1|H<1>}	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2{2|C<4>}	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2{2|C<4>}	87.2597	0.000	1	87.2597	0.000	1	87.2597	0.000	1	87.2597	0.000	1	88.7138	1.853	9	88.5596	1.601	11
742	917	924	0:SP3_SP-NON_SP3	B[4]	P[4]	Br	4:4:4:1:	4:4:4:4:	4:	P[4]-4:P[4]-4:C-4:Br-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:	B[4](P[4]B[4]CC)2(CC3)(Br)	P[4](B[4]P[4]BrC)2(CCCH)2	Br(B[4]P[4]2C)	B[4](P[4]B[4]CC)2(CC3)(Br){1|Br<1>,1|C<4>}	P[4](B[4]P[4]BrC)2(CCCH)2{2|C<4>}	Br(B[4]P[4]2C)	104.9505	0.084	2	104.9505	0.007	2	104.9505	0.007	2	104.9505	0.007	2	104.9505	0.007	2	104.9505	0.007	2
742	917	949	4:SP3_SP3_SP3	B[3x4]	P[4,4]	Se[4,4]	4:4:2:4:	4:4:4:4:	4:4:	P[4,4]-4:P[4,4]-4:Se[4,4]-2:C-4:	B[3x4]-4:B[3x4]-4:C-4:C-4:	B[3x4]-4:B[3x4]-4:	B[3x4](P[4,4]B[3x4]CC)2(Se[4,4]B[3x4])(CC3)	P[4,4](B[3x4]Se[4,4]P[4,4]C)2(CCCH)2	Se[4,4](B[3x4]P[4,4]2C)2	B[3x4](P[4,4]B[3x4]CC)2(Se[4,4]B[3x4])(CC3){1|C<4>}	P[4,4](B[3x4]Se[4,4]P[4,4]C)2(CCCH)2{2|C<4>}	Se[4,4](B[3x4]P[4,4]2C)2{4|C<4>}	85.9691	0.815	4	85.9691	0.665	4	85.9691	0.665	4	85.9691	0.665	4	85.9691	0.665	4	85.9691	0.665	4
742	917	951	0:SP3_SP-NON_SP3	B[4]	P[4]	H	4:4:4:1:	4:4:4:4:	4:	P[4]-4:P[4]-4:C-4:H-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:	B[4](P[4]B[4]CC)2(CC3)(H)	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2	H(B[4]P[4]2C)	B[4](P[4]B[4]CC)2(CC3)(H){1|C<4>,1|O<2>}	P[4](B[4]P[4]CH)(B[4]P[4]CO)(CCCH)2{2|C<4>}	H(B[4]P[4]2C)	91.9207	2.271	2	91.9207	5.156	2	95.7762	21.665	4	95.7762	21.665	4	95.7762	21.665	4	95.7762	21.665	4
742	917	951	0:SP3_SP-NON_SP3	B[4]	P[4]	H	4:4:4:1:	4:4:4:4:	4:	P[4]-4:P[4]-4:C-4:H-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:	B[4](P[4]B[4]CC)2(CC3)(H)	P[4](B[4]P[4]SnC)(B[4]P[4]CH)(CCCH)2	H(B[4]P[4]2C)	B[4](P[4]B[4]CC)2(CC3)(H){1|Sn<4>,1|C<4>}	P[4](B[4]P[4]SnC)(B[4]P[4]CH)(CCCH)2{2|C<4>}	H(B[4]P[4]2C)	99.6317	0.616	2	99.6317	0.379	2	95.7762	21.665	4	95.7762	21.665	4	95.7762	21.665	4	95.7762	21.665	4
742	924	924	0:SP3_SP-NON_SP-NON	B[4]	Br	Br	3:3:1:1:	4:	4:	N[4,6]-3:N[4]-3:Br-1:Br-1:	B[4]-4:	B[4]-4:	B[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]Si)(Br)2	Br(B[4]N[4,6]N[4]Br)	Br(B[4]N[4,6]N[4]Br)	B[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]Si)(Br)2{1|C<4>,2|C<3>}	Br(B[4]N[4,6]N[4]Br)	Br(B[4]N[4,6]N[4]Br)	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	110.5015	1.777	4	109.0973	4.178	7	109.0973	4.178	7
742	924	924	0:SP3_SP-NON_SP-NON	B[4]	Br	Br	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Br-1:Br-1:	B[4]-4:	B[4]-4:	B[4](N[4]C[4]C[6])2(Br)2	Br(B[4]N[4]2Br)	Br(B[4]N[4]2Br)	B[4](N[4]C[4]C[6])2(Br)2{2|H<1>,5|C<4>}	Br(B[4]N[4]2Br)	Br(B[4]N[4]2Br)	111.0670	0.000	1	111.0670	0.000	1	110.1613	1.971	3	110.5015	1.777	4	109.0973	4.178	7	109.0973	4.178	7
742	924	924	0:SP3_SP-NON_SP-NON	B[4]	Br	Br	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Br-1:Br-1:	B[4]-4:	B[4]-4:	B[4](N[4]C[4]Si)2(Br)2	Br(B[4]N[4]2Br)	Br(B[4]N[4]2Br)	B[4](N[4]C[4]Si)2(Br)2{1|C<3>}	Br(B[4]N[4]2Br)	Br(B[4]N[4]2Br)	110.8730	0.000	1	110.8730	0.000	1	110.1613	1.971	3	110.5015	1.777	4	109.0973	4.178	7	109.0973	4.178	7
742	924	924	0:SP3_SP-NON_SP-NON	B[4]	Br	Br	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Br-1:Br-1:	B[4]-4:	B[4]-4:	B[4](N[4]C[6a]C[4])2(Br)2	Br(B[4]N[4]2Br)	Br(B[4]N[4]2Br)	B[4](N[4]C[6a]C[4])2(Br)2{1|N<3>,4|C<3>}	Br(B[4]N[4]2Br)	Br(B[4]N[4]2Br)	108.5440	0.000	1	108.5440	0.000	1	110.1613	1.971	3	110.5015	1.777	4	109.0973	4.178	7	109.0973	4.178	7
742	924	924	0:SP3_SP-NON_SP-NON	B[4]	Br	Br	4:4:1:1:	4:	4:	N[4,5]-4:N[4,5]-4:Br-1:Br-1:	B[4]-4:	B[4]-4:	B[4](N[4,5]B[4]C[5]2)2(Br)2	Br(B[4]N[4,5]2Br)	Br(B[4]N[4,5]2Br)	B[4](N[4,5]B[4]C[5]2)2(Br)2{2|Br<1>,4|C<4>,8|H<1>}	Br(B[4]N[4,5]2Br)	Br(B[4]N[4,5]2Br)	107.5705	0.786	2	107.5705	0.617	2	107.5705	0.617	2	107.2250	0.667	3	109.0973	4.178	7	109.0973	4.178	7
742	924	924	0:SP3_SP-NON_SP-NON	B[4]	Br	Br	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:Br-1:Br-1:	B[4]-4:	B[4]-4:	B[4](N[4]B[4]CC)2(Br)2	Br(B[4]N[4]2Br)	Br(B[4]N[4]2Br)	B[4](N[4]B[4]CC)2(Br)2{2|Br<1>}	Br(B[4]N[4]2Br)	Br(B[4]N[4]2Br)	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	107.2250	0.667	3	109.0973	4.178	7	109.0973	4.178	7
742	924	980	0:SP3_SP-NON_SP3	B[4]	Br	N[4,5]	4:4:1:1:	4:	4:4:4:4:	N[4,5]-4:N[4,5]-4:Br-1:Br-1:	B[4]-4:	B[4]-4:B[4]-4:C[5]-4:C[5]-4:	B[4](N[4,5]B[4]C[5]2)2(Br)2	Br(B[4]N[4,5]2Br)	N[4,5](B[4]N[4,5]Br2)2(C[5]C[5]HH)2	B[4](N[4,5]B[4]C[5]2)2(Br)2{2|Br<1>,4|C<4>,8|H<1>}	Br(B[4]N[4,5]2Br)	N[4,5](B[4]N[4,5]Br2)2(C[5]C[5]HH)2{2|C<4>,4|H<1>}	114.1972	1.154	8	114.1972	1.332	8	114.1972	1.332	8	114.1972	1.332	8	114.1972	1.332	8	114.2531	1.068	10
742	924	980	0:SP3_SP-NON_SP3	B[4]	Br	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:N[4]-4:Br-1:Br-1:	B[4]-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](N[4]B[4]CC)2(Br)2	Br(B[4]N[4]2Br)	N[4](B[4]N[4]Br2)2(CH3)2	B[4](N[4]B[4]CC)2(Br)2{2|Br<1>}	Br(B[4]N[4]2Br)	N[4](B[4]N[4]Br2)2(CH3)2{2|C<4>}	114.4765	0.411	2	114.4765	0.169	2	114.4765	0.169	2	114.4765	0.169	2	114.4765	0.169	2	114.2531	1.068	10
742	949	949	4:SP3_SP3_SP3	B[4]	Se[4]	Se[4]	3:2:2:2:	4:4:	4:4:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	B[4]-4:B[4]-4:	B[4]-4:B[4]-4:	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	Se[4](B[4]Se[4]C[5]C)2	Se[4](B[4]Se[4]C[5]C)2	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	Se[4](B[4]Se[4]C[5]C)2{2|C<4>,2|N<3>}	Se[4](B[4]Se[4]C[5]C)2{2|C<4>,2|N<3>}	94.8702	0.000	1	95.5384	0.893	2	95.5384	0.893	2	95.5384	0.893	2	93.9980	1.731	6	93.9980	1.731	6
742	949	949	4:SP3_SP3_SP3	B[4]	Se[4]	Se[4]	3:2:2:2:	4:4:	4:4:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	B[4]-4:B[4]-4:	B[4]-4:B[4]-4:	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	Se[4](B[4]Se[4]C[5]C)2	Se[4](B[4]Se[4]C[5]C)2	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){2|C<3>,5|C<4>}	Se[4](B[4]Se[4]C[5]C)2{1|C<4>,3|N<3>}	Se[4](B[4]Se[4]C[5]C)2{1|C<4>,3|N<3>}	96.2067	0.000	1	95.5384	0.893	2	95.5384	0.893	2	95.5384	0.893	2	93.9980	1.731	6	93.9980	1.731	6
742	949	949	4:SP3_SP3_SP3	B[4]	Se[4]	Se[4]	3:2:2:4:	4:3:	4:3:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	B[4]-4:B[4]-3:	B[4]-4:B[4]-3:	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4])	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4])	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){2|C<4>,3|C<3>}	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4]){2|C<3>,2|N<3>}	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4]){2|C<3>,2|N<3>}	92.8444	0.000	1	92.8444	0.000	1	92.8354	0.000	2	92.8354	0.000	2	93.9980	1.731	6	93.9980	1.731	6
742	949	949	4:SP3_SP3_SP3	B[4]	Se[4]	Se[4]	3:2:2:4:	4:3:	4:3:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	B[4]-4:B[4]-3:	B[4]-4:B[4]-3:	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N)	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N)	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){1|N<3>,2|C<3>,2|C<4>}	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N){2|N<3>}	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N){2|N<3>}	92.8264	0.000	1	92.8264	0.000	1	92.8354	0.000	2	92.8354	0.000	2	93.9980	1.731	6	93.9980	1.731	6
742	949	949	4:SP3_SP3_SP3	B[4]	Se[4]	Se[4]	3:2:2:4:	4:4:	4:4:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	B[4]-4:B[4]-4:	B[4]-4:B[4]-4:	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	Se[4](B[4]Se[4]C[5]C)2	Se[4](B[4]Se[4]C[5]C)2	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){1|C<2>,2|C<4>,3|C<3>}	Se[4](B[4]Se[4]C[5]C)2{1|C<4>,3|N<3>}	Se[4](B[4]Se[4]C[5]C)2{1|C<4>,3|N<3>}	93.7326	0.000	1	93.6202	0.025	2	93.6202	0.025	2	93.6202	0.025	2	93.9980	1.731	6	93.9980	1.731	6
742	949	949	4:SP3_SP3_SP3	B[4]	Se[4]	Se[4]	3:2:2:4:	4:4:	4:4:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	B[4]-4:B[4]-4:	B[4]-4:B[4]-4:	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	Se[4](B[4]Se[4]C[5]C)2	Se[4](B[4]Se[4]C[5]C)2	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){3|C<3>,3|C<4>}	Se[4](B[4]Se[4]C[5]C)2{4|N<3>}	Se[4](B[4]Se[4]C[5]C)2{4|N<3>}	93.5078	0.000	1	93.6202	0.025	2	93.6202	0.025	2	93.6202	0.025	2	93.9980	1.731	6	93.9980	1.731	6
742	949	983	0:SP3_SP1_SP3	B[4]	Se[4]	C	3:2:2:2:	4:4:	4:1:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	B[4]-4:B[4]-4:	B[4]-4:N-1:	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	Se[4](B[4]Se[4]C[5]C)2	C(B[4]Se[4]2C[5])(N)	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	Se[4](B[4]Se[4]C[5]C)2{2|C<4>,2|N<3>}	C(B[4]Se[4]2C[5])(N)	110.5780	1.318	2	108.2955	10.633	4	108.2955	10.633	4	108.2955	10.633	4	108.2955	10.633	4	108.2955	10.633	4
742	949	983	0:SP3_SP1_SP3	B[4]	Se[4]	C	3:2:2:2:	4:4:	4:1:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	B[4]-4:B[4]-4:	B[4]-4:N-1:	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	Se[4](B[4]Se[4]C[5]C)2	C(B[4]Se[4]2C[5])(N)	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){2|C<3>,5|C<4>}	Se[4](B[4]Se[4]C[5]C)2{1|C<4>,3|N<3>}	C(B[4]Se[4]2C[5])(N)	106.0130	3.053	2	108.2955	10.633	4	108.2955	10.633	4	108.2955	10.633	4	108.2955	10.633	4	108.2955	10.633	4
742	951	951	0:SP3_SP-NON_SP-NON	B[4]	H	H	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:H-1:H-1:	B[4]-4:	B[4]-4:	B[4](N[4]B[4]CC)2(H)2	H(B[4]N[4]2H)	H(B[4]N[4]2H)	B[4](N[4]B[4]CC)2(H)2{2|H<1>}	H(B[4]N[4]2H)	H(B[4]N[4]2H)	111.9077	2.039	4	111.9077	4.156	4	111.7916	3.184	5	111.7916	3.184	5	111.7916	3.184	5	111.7916	3.184	5
742	951	951	0:SP3_SP-NON_SP-NON	B[4]	H	H	4:4:1:1:	4:	4:	N[4]-4:N[4]-4:H-1:H-1:	B[4]-4:	B[4]-4:	B[4](N[4]B[4]CH)2(H)2	H(B[4]N[4]2H)	H(B[4]N[4]2H)	B[4](N[4]B[4]CH)2(H)2{2|H<1>}	H(B[4]N[4]2H)	H(B[4]N[4]2H)	111.3270	0.000	1	111.3270	0.000	1	111.7916	3.184	5	111.7916	3.184	5	111.7916	3.184	5	111.7916	3.184	5
742	951	980	0:SP3_SP-NON_SP3	B[4,6,6]	H	N[4,6,6]	4:4:4:1:	4:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-4:C[6,6]-4:H-1:	B[4,6,6]-4:	B[4,6,6]-4:B[4,6,6]-4:C[6,6]-4:H-1:	B[4,6,6](N[4,6,6]B[4,6,6]C[6,6]H)2(C[6,6]N[4,6,6]HH)(H)	H(B[4,6,6]N[4,6,6]2C[6,6])	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H)	B[4,6,6](N[4,6,6]B[4,6,6]C[6,6]H)2(C[6,6]N[4,6,6]HH)(H){1|C<4>,2|B<4>,6|H<1>}	H(B[4,6,6]N[4,6,6]2C[6,6])	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H){1|C<4>,2|N<4>,6|H<1>}	112.3478	0.823	16	112.3478	0.677	16	112.3478	0.677	16	112.3478	0.677	16	112.3478	0.677	16	112.5747	1.008	32
742	951	980	0:SP3_SP-NON_SP3	B[4]	H	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:N[4]-4:H-1:H-1:	B[4]-4:	B[4]-4:B[4]-4:C-4:H-1:	B[4](N[4]B[4]CH)2(H)2	H(B[4]N[4]2H)	N[4](B[4]N[4]HH)2(CC3)(H)	B[4](N[4]B[4]CH)2(H)2{2|H<1>}	H(B[4]N[4]2H)	N[4](B[4]N[4]HH)2(CC3)(H){1|C<4>,1|H<1>}	113.0268	1.679	4	113.0268	2.818	4	113.0268	2.818	4	113.0268	2.818	4	112.8016	1.297	16	112.5747	1.008	32
742	951	980	0:SP3_SP-NON_SP3	B[4]	H	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:N[4]-4:H-1:H-1:	B[4]-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](N[4]B[4]CC)2(H)2	H(B[4]N[4]2H)	N[4](B[4]N[4]HH)2(CCHH)2	B[4](N[4]B[4]CC)2(H)2{2|H<1>}	H(B[4]N[4]2H)	N[4](B[4]N[4]HH)2(CCHH)2{2|C<4>}	112.2395	1.761	4	112.2395	3.102	4	112.7265	0.976	12	112.7265	0.976	12	112.8016	1.297	16	112.5747	1.008	32
742	951	980	0:SP3_SP-NON_SP3	B[4]	H	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:N[4]-4:H-1:H-1:	B[4]-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](N[4]B[4]CC)2(H)2	H(B[4]N[4]2H)	N[4](B[4]N[4]HH)2(CH3)2	B[4](N[4]B[4]CC)2(H)2{2|H<1>}	H(B[4]N[4]2H)	N[4](B[4]N[4]HH)2(CH3)2{2|C<4>}	112.9700	0.021	8	112.9700	0.000	8	112.7265	0.976	12	112.7265	0.976	12	112.8016	1.297	16	112.5747	1.008	32
742	951	996	0:SP3_SP-NON_SP3	B[4,5,6,6]	H	Si[4,4,6]	5:4:4:1:	4:	5:4:3:3:	B[3x3,4,5x5,14x6]-5:Si[4,4,6]-4:Si[4,5,6,6]-4:H-1:	B[4,5,6,6]-4:	C[3x3,4,4x5,15x6]-5:B[4,5,6,6]-4:N[4]-3:N[4]-3:	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H)	H(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]Si[4,4,6])	Si[4,4,6](C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[4x3,5x5,20x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]H)(N[4]C[4]C)2	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H){2|C<3>,3|H<1>,4|C<4>,5|B<6>}	H(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]Si[4,4,6])	Si[4,4,6](C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[4x3,5x5,20x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]H)(N[4]C[4]C)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>,5|B<6>}	118.6640	0.000	1	118.6640	0.000	1	118.6640	0.000	1	118.6640	0.000	1	118.6640	0.000	1	119.5425	1.544	2
742	951	996	0:SP3_SP-NON_SP3	B[4,5,6,6]	H	Si[4,5,6,6]	5:4:4:1:	4:	4:4:3:3:	B[3x3,4,5x5,14x6]-5:Si[4,4,6]-4:Si[4,5,6,6]-4:H-1:	B[4,5,6,6]-4:	C[3,3,3x5,8x6]-4:B[4,5,6,6]-4:N[4]-3:N[4]-3:	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H)	H(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]Si[4,4,6])	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H){2|C<3>,3|H<1>,4|C<4>,5|B<6>}	H(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]Si[4,4,6])	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,3|H<1>,5|B<6>}	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	119.5425	1.544	2
742	980	980	4:SP3_SP3_SP3	B[4,6,6]	N[4,6,6]	N[4,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[4,6,6]-4:N[4,6,6]-4:C[6,6]-4:H-1:	B[4,6,6]-4:B[4,6,6]-4:C[6,6]-4:H-1:	B[4,6,6]-4:B[4,6,6]-4:C[6,6]-4:H-1:	B[4,6,6](N[4,6,6]B[4,6,6]C[6,6]H)2(C[6,6]N[4,6,6]HH)(H)	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H)	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H)	B[4,6,6](N[4,6,6]B[4,6,6]C[6,6]H)2(C[6,6]N[4,6,6]HH)(H){1|C<4>,2|B<4>,6|H<1>}	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H){1|C<4>,2|N<4>,6|H<1>}	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H){1|C<4>,2|N<4>,6|H<1>}	92.3074	0.054	6	92.3074	0.003	6	92.3074	0.003	6	92.3074	0.003	6	92.3074	0.003	6	92.5438	0.319	14
742	980	980	4:SP3_SP3_SP3	B[4]	N[4,5]	N[4,5]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[4,5]-4:N[4,5]-4:Br-1:Br-1:	B[4]-4:B[4]-4:C[5]-4:C[5]-4:	B[4]-4:B[4]-4:C[5]-4:C[5]-4:	B[4](N[4,5]B[4]C[5]2)2(Br)2	N[4,5](B[4]N[4,5]Br2)2(C[5]C[5]HH)2	N[4,5](B[4]N[4,5]Br2)2(C[5]C[5]HH)2	B[4](N[4,5]B[4]C[5]2)2(Br)2{2|Br<1>,4|C<4>,8|H<1>}	N[4,5](B[4]N[4,5]Br2)2(C[5]C[5]HH)2{2|C<4>,4|H<1>}	N[4,5](B[4]N[4,5]Br2)2(C[5]C[5]HH)2{2|C<4>,4|H<1>}	92.1084	0.429	2	92.1084	0.184	2	92.1084	0.184	2	92.1084	0.184	2	92.1084	0.184	2	92.5438	0.319	14
742	980	980	4:SP3_SP3_SP3	B[4]	N[4]	N[4]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[4]-4:N[4]-4:H-1:H-1:	B[4]-4:B[4]-4:C-4:H-1:	B[4]-4:B[4]-4:C-4:H-1:	B[4](N[4]B[4]CH)2(H)2	N[4](B[4]N[4]HH)2(CC3)(H)	N[4](B[4]N[4]HH)2(CC3)(H)	B[4](N[4]B[4]CH)2(H)2{2|H<1>}	N[4](B[4]N[4]HH)2(CC3)(H){1|C<4>,1|H<1>}	N[4](B[4]N[4]HH)2(CC3)(H){1|C<4>,1|H<1>}	92.1183	0.000	1	92.1183	0.000	1	92.1183	0.000	1	92.1183	0.000	1	92.9252	0.473	6	92.5438	0.319	14
742	980	980	4:SP3_SP3_SP3	B[4]	N[4]	N[4]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:Br-1:Br-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](N[4]B[4]CC)2(Br)2	N[4](B[4]N[4]Br2)2(CH3)2	N[4](B[4]N[4]Br2)2(CH3)2	B[4](N[4]B[4]CC)2(Br)2{2|Br<1>}	N[4](B[4]N[4]Br2)2(CH3)2{2|C<4>}	N[4](B[4]N[4]Br2)2(CH3)2{2|C<4>}	92.3012	0.000	1	92.3012	0.000	1	92.3012	0.000	1	93.0866	0.396	5	92.9252	0.473	6	92.5438	0.319	14
742	980	980	4:SP3_SP3_SP3	B[4]	N[4]	N[4]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:H-1:H-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](N[4]B[4]CC)2(H)2	N[4](B[4]N[4]HH)2(CCHH)2	N[4](B[4]N[4]HH)2(CCHH)2	B[4](N[4]B[4]CC)2(H)2{2|H<1>}	N[4](B[4]N[4]HH)2(CCHH)2{2|C<4>}	N[4](B[4]N[4]HH)2(CCHH)2{2|C<4>}	92.8338	0.088	2	92.8338	0.008	2	93.2830	0.272	4	93.0866	0.396	5	92.9252	0.473	6	92.5438	0.319	14
742	980	980	4:SP3_SP3_SP3	B[4]	N[4]	N[4]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[4]-4:N[4]-4:H-1:H-1:	B[4]-4:B[4]-4:C-4:C-4:	B[4]-4:B[4]-4:C-4:C-4:	B[4](N[4]B[4]CC)2(H)2	N[4](B[4]N[4]HH)2(CH3)2	N[4](B[4]N[4]HH)2(CH3)2	B[4](N[4]B[4]CC)2(H)2{2|H<1>}	N[4](B[4]N[4]HH)2(CH3)2{2|C<4>}	N[4](B[4]N[4]HH)2(CH3)2{2|C<4>}	93.7321	0.000	2	93.7321	0.000	2	93.2830	0.272	4	93.0866	0.396	5	92.9252	0.473	6	92.5438	0.319	14
742	996	996	6:SP3_SP3_SP3	B[4,5,6,6]	Si[4,4,6]	Si[4,5,6,6]	5:4:4:1:	5:4:3:3:	4:4:3:3:	B[3x3,4,5x5,14x6]-5:Si[4,4,6]-4:Si[4,5,6,6]-4:H-1:	C[3x3,4,4x5,15x6]-5:B[4,5,6,6]-4:N[4]-3:N[4]-3:	C[3,3,3x5,8x6]-4:B[4,5,6,6]-4:N[4]-3:N[4]-3:	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H)	Si[4,4,6](C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[4x3,5x5,20x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]H)(N[4]C[4]C)2	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H){2|C<3>,3|H<1>,4|C<4>,5|B<6>}	Si[4,4,6](C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[4x3,5x5,20x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]H)(N[4]C[4]C)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>,5|B<6>}	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,3|H<1>,5|B<6>}	115.6540	0.000	1	115.6540	0.000	1	115.6540	0.000	1	115.6540	0.000	1	115.6540	0.000	1	115.6540	0.000	1
746	466	622	6:SPD5_SP3_SP3	P[3x6]	C[3x6]	O[6]	4:2:2:2:1:	3:3:3:5:	5:4:	C[3x6]-4:O[6]-2:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:P[3x6]-5:	P[3x6]-5:C[6]-4:	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H)	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH)	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H){6|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H){3|C<4>,3|H<1>,6|C<3>}	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	96.1496	0.229	3	96.1496	0.053	3	96.1496	0.053	3	96.1496	0.053	3	96.1496	0.053	3	96.1496	0.053	3
746	466	951	0:SPD5_SP-NON_SP3	P[3x6]	C[3x6]	H	4:2:2:2:1:	3:3:3:5:	5:	C[3x6]-4:O[6]-2:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:P[3x6]-5:	P[3x6]-5:	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H)	H(P[3x6]C[3x6]O[6]3)	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H){6|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H){3|C<4>,3|H<1>,6|C<3>}	H(P[3x6]C[3x6]O[6]3)	179.6190	0.000	1	179.6190	0.000	1	179.6190	0.000	1	179.6190	0.000	1	179.6190	0.000	1	179.6190	0.000	1
746	622	622	0:SPD5_SP2_SP2	P[6,6]	O[6]	O[6]	2:2:3:3:1:	3:5:	3:5:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:P[6,6]-5:	C[6,6a]-3:P[6,6]-5:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	175.7900	0.000	1	175.7900	0.000	1	175.7900	0.000	1	175.7900	0.000	1	174.3760	3.999	2	174.3760	3.999	2
746	622	622	0:SPD5_SP2_SP2	P[6,6]	O[6]	O[6]	3:2:2:2:2:	3:5:	3:5:	N[6,6]-3:O[6]-2:O[6]-2:O-2:O-2:	C[6,6a]-3:P[6,6]-5:	C[6,6a]-3:P[6,6]-5:	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO)	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO){3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO){3|C<3>,3|C<4>}	172.9620	0.000	1	172.9620	0.000	1	172.9620	0.000	1	172.9620	0.000	1	174.3760	3.999	2	174.3760	3.999	2
746	622	622	0:SPD5_SP3_SP3	P[3x6]	O[6]	O[6]	4:2:2:2:1:	5:4:	5:4:	C[3x6]-4:O[6]-2:O[6]-2:O[6]-2:H-1:	P[3x6]-5:C[6]-4:	P[3x6]-5:C[6]-4:	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H)	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH)	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH)	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H){6|C<3>,6|H<1>}	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	118.8677	0.780	3	118.8677	0.608	3	118.8677	0.608	3	118.8677	0.608	3	118.8677	0.608	3	118.8677	0.608	3
746	622	856	0:SPD5_SP2_SP2	P[6,6]	O[6]	N[6]	2:2:3:3:1:	3:5:	4:5:1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:P[6,6]-5:	C[6]-4:P[6,6]-5:H-1:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	90.3066	0.000	1	90.3066	0.000	1	90.3066	0.000	1	90.3066	0.000	1	90.3066	0.000	1	90.3066	0.000	1
746	622	856	0:SPD5_SP2_SP3	P[6,6]	O[6]	N[6]	2:2:3:3:1:	3:5:	4:5:1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:P[6,6]-5:	C[6]-4:P[6,6]-5:H-1:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	86.1847	0.000	1	86.1847	0.000	1	86.1847	0.000	1	86.1847	0.000	1	86.1847	0.000	1	86.1847	0.000	1
746	622	856	6:SPD5_SP2_SP2	P[6,6]	O[6]	N[6]	2:2:3:3:1:	3:5:	4:5:1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:P[6,6]-5:	C[6]-4:P[6,6]-5:H-1:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	93.2959	0.000	1	93.2959	0.000	1	93.2959	0.000	1	93.2959	0.000	1	93.2959	0.000	1	93.2959	0.000	1
746	622	856	6:SPD5_SP2_SP3	P[6,6]	O[6]	N[6,6]	3:2:2:2:2:	3:5:	5:4:4:	N[6,6]-3:O[6]-2:O[6]-2:O-2:O-2:	C[6,6a]-3:P[6,6]-5:	P[6,6]-5:C[6]-4:C[6]-4:	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO)	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO){3|C<3>,3|C<4>}	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2{4|C<3>}	93.5191	0.190	2	93.5191	0.036	2	93.5191	0.036	2	93.5191	0.036	2	93.5191	0.036	2	93.5247	0.018	3
746	622	856	6:SPD5_SP2_SP3	P[6,6]	O[6]	N[6]	2:2:3:3:1:	3:5:	4:5:1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:P[6,6]-5:	C[6]-4:P[6,6]-5:H-1:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	93.5360	0.000	1	93.5360	0.000	1	93.5360	0.000	1	93.5360	0.000	1	93.5360	0.000	1	93.5247	0.018	3
746	622	893	0:SPD5_SP2_SP2	P[6,6]	O[6]	O	3:2:2:2:2:	3:5:	5:3:	N[6,6]-3:O[6]-2:O[6]-2:O-2:O-2:	C[6,6a]-3:P[6,6]-5:	P[6,6]-5:C[6a]-3:	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO)	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6,6]O[6]OO){3|C<3>,3|C<4>}	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	88.1843	0.954	4	88.1843	0.910	4	88.1843	0.910	4	88.1843	0.910	4	88.1843	0.910	4	88.1843	0.910	4
746	622	951	0:SPD5_SP-NON_SP2	P[6,6]	O[6]	H	2:2:3:3:1:	3:5:	5:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:P[6,6]-5:	P[6,6]-5:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H)	H(P[6,6]N[6]2O[6]2)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(P[6,6]N[6]2O[6]H){2|C<4>,3|C<3>,3|H<1>}	H(P[6,6]N[6]2O[6]2)	88.2839	2.319	2	88.2839	5.376	2	88.2839	5.376	2	88.2839	5.376	2	88.2839	5.376	2	88.2839	5.376	2
746	622	951	0:SPD5_SP-NON_SP3	P[3x6]	O[6]	H	4:2:2:2:1:	5:4:	5:	C[3x6]-4:O[6]-2:O[6]-2:O[6]-2:H-1:	P[3x6]-5:C[6]-4:	P[3x6]-5:	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H)	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH)	H(P[3x6]C[3x6]O[6]3)	P[3x6](C[3x6]C[6,6a]3)(O[6]C[6])3(H){6|C<3>,6|H<1>}	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(P[3x6]C[3x6]O[6]3)	83.8494	0.257	3	83.8494	0.066	3	83.8494	0.066	3	83.8494	0.066	3	83.8494	0.066	3	83.8494	0.066	3
746	856	856	0:SPD5_SP2_SP3	P[6,6]	N[6]	N[6]	2:2:3:3:1:	4:5:1:	4:5:1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6]-4:P[6,6]-5:H-1:	C[6]-4:P[6,6]-5:H-1:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	124.9750	0.000	1	124.9750	0.000	1	124.9750	0.000	1	124.9750	0.000	1	124.9750	0.000	1	124.9750	0.000	1
746	856	893	0:SPD5_SP2_SP3	P[6,6]	N[6,6]	O	3:2:2:2:2:	5:4:4:	5:3:	N[6,6]-3:O[6]-2:O[6]-2:O-2:O-2:	P[6,6]-5:C[6]-4:C[6]-4:	P[6,6]-5:C[6a]-3:	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2{4|C<3>,4|H<1>}	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2{4|C<3>}	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	121.0755	0.441	2	121.0755	0.194	2	121.0755	0.194	2	121.0755	0.194	2	121.0755	0.194	2	121.0755	0.194	2
746	856	951	0:SPD5_SP-NON_SP2	P[6,6]	N[6]	H	2:2:3:3:1:	4:5:1:	5:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6]-4:P[6,6]-5:H-1:	P[6,6]-5:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	H(P[6,6]N[6]2O[6]2)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	H(P[6,6]N[6]2O[6]2)	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1
746	856	951	0:SPD5_SP-NON_SP3	P[6,6]	N[6]	H	2:2:3:3:1:	4:5:1:	5:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	C[6]-4:P[6,6]-5:H-1:	P[6,6]-5:	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	H(P[6,6]N[6]2O[6]2)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	H(P[6,6]N[6]2O[6]2)	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1
746	893	893	0:SPD5_SP2_SP2	P[6,6]	O	O	3:2:2:2:2:	5:3:	5:3:	N[6,6]-3:O[6]-2:O[6]-2:O-2:O-2:	P[6,6]-5:C[6a]-3:	P[6,6]-5:C[6a]-3:	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2{4|C<3>,4|H<1>}	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1
762	2	474	0:SP2_SP2_SP3	C[6]	B[5]	C[5,6]	4:3:3:	3:2:2:	4:3:4:4:	C[5,6]-4:C[6,6]-3:B[5]-3:	C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:C[5]-4:C[5]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2)	B[5](C[6]C[5,6]C[6,6])(O[5]C[5])2	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH)	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2){1|C<3>,1|O<2>,7|C<4>,7|H<1>}	B[5](C[6]C[5,6]C[6,6])(O[5]C[5])2{9|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]B[5])(C[5]C[5]HH)(C[5]O[5]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1
762	2	643	0:SP2_SP2_SP2	C[6]	B[5]	C[6,6a]	3:3:3:	3:2:2:	3:3:3:	C[6,6a]-3:B[5]-3:C[6]-3:	C[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H)	B[5](C[6]C[6,6a]C[6])(O[5]C[5])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H){1|B<3>,1|H<1>,2|C<3>,3|C<4>}	B[5](C[6]C[6,6a]C[6])(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,5|H<1>}	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1
762	2	762	0:SP2_SP2_SP2	C[6]	B[5]	C[6,6]	4:3:3:	3:2:2:	4:3:4:	C[5,6]-4:C[6,6]-3:B[5]-3:	C[6]-3:O[5]-2:O[5]-2:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2)	B[5](C[6]C[5,6]C[6,6])(O[5]C[5])2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6])(B[5]O[5]2){1|C<3>,1|O<2>,7|C<4>,7|H<1>}	B[5](C[6]C[5,6]C[6,6])(O[5]C[5])2{9|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	121.0202	2.289	10
762	2	762	0:SP2_SP2_SP2	C[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](B[5]O[5]2)(C[6]C[6]H)2	B[5](C[6]C[6]2)(O[5]C[5])2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	B[5](C[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|C<3>,2|H<1>,2|O<2>}	120.6555	0.503	2	121.2890	1.020	8	121.2890	1.020	8	120.8842	2.367	9	120.8842	2.367	9	121.0202	2.289	10
762	2	762	0:SP2_SP2_SP2	C[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](B[5]O[5]2)(C[6]C[6]H)2	B[5](C[6]C[6]2)(O[5]C[5])2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	B[5](C[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|O<2>}	121.3702	1.182	4	121.2890	1.020	8	121.2890	1.020	8	120.8842	2.367	9	120.8842	2.367	9	121.0202	2.289	10
762	2	762	0:SP2_SP2_SP2	C[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[5]-2:O[5]-2:	C[6]-3:C[6]-3:H-1:	C[6](B[5]O[5]2)(C[6]C[6]H)2	B[5](C[6]C[6]2)(O[5]C[5])2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	B[5](C[6]C[6]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>,2|O<2>}	121.7600	1.195	2	121.2890	1.020	8	121.2890	1.020	8	120.8842	2.367	9	120.8842	2.367	9	121.0202	2.289	10
762	2	762	0:SP2_SP2_SP2	C[6]	B[5]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:B[5]-3:C[6]-3:	C[6]-3:O[5]-2:O[5]-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H)	B[5](C[6]C[6,6a]C[6])(O[5]C[5])2	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H){1|B<3>,1|H<1>,2|C<3>,3|C<4>}	B[5](C[6]C[6,6a]C[6])(O[5]C[5])2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H){2|C<3>,2|H<1>,4|O<2>}	117.6460	0.000	1	117.6460	0.000	1	117.6460	0.000	1	120.8842	2.367	9	120.8842	2.367	9	121.0202	2.289	10
762	14	206	0:SP2_SP1_SP3	C[6]	P[6]	C[6]	3:3:2:	3:3:3:	3:3:	P[6]-3:C[6]-3:C[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6])	P[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6](C[6]C[6]P[6])(C[6]C[6]H)	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|P<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H){2|H<1>,3|C<3>}	104.3920	0.000	1	104.3920	0.000	1	104.3920	0.000	1	104.3920	0.000	1	104.3920	0.000	1	104.3920	0.000	1
762	14	466	0:SP2_SP3_SP3	C[6]	P[3x6]	C[3x6]	3:3:4:	4:3:4:	3:4:4:4:	P[3x6]-3:C[5,6]-3:C[3x6]-4:	C[4x6]-4:C[6]-3:C[6,6]-4:	C[6]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3)	P[3x6](C[4x6]C[3x6]C[6,6]C)(C[6]C[3x6]C[5,6])(C[6,6]C[3x6]HH)	C[3x6](C[6]C[5,6]P[3x6])(C[6,6]C[3x6]HH)3	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3){2|C<3>,8|H<1>,9|C<4>}	P[3x6](C[4x6]C[3x6]C[6,6]C)(C[6]C[3x6]C[5,6])(C[6,6]C[3x6]HH){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6]C[5,6]P[3x6])(C[6,6]C[3x6]HH)3{1|N<3>,3|H<1>,6|C<4>}	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1
762	14	466	6:SP2_SP3_SP3	C[6]	P[6]	C[6]	3:4:1:	3:3:3:	4:3:1:1:	P[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O)	P[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{2|C<3>,2|H<1>}	115.3285	0.090	2	115.4770	0.372	4	115.4770	0.372	4	115.4770	0.372	4	115.4770	0.372	4	115.4770	0.372	4
762	14	466	6:SP2_SP3_SP3	C[6]	P[6]	C[6]	3:4:1:	3:3:3:	4:3:1:1:	P[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O)	P[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{2|C<3>,2|H<1>}	115.6255	1.010	2	115.4770	0.372	4	115.4770	0.372	4	115.4770	0.372	4	115.4770	0.372	4	115.4770	0.372	4
762	14	490	0:SP2_SP3_SP3	C[6]	P[3x6]	C	3:3:4:	4:4:3:	3:4:4:4:	P[3x6]-3:C[5,6]-3:C-4:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3)	P[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[5,6]C)	C(C[6]C[5,6]P[3x6])(CH3)3	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3){2|C<3>,2|H<1>,6|C<4>}	P[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5,6]P[3x6])(CH3)3	106.5560	0.000	1	106.5560	0.000	1	106.5560	0.000	1	106.5560	0.000	1	106.5560	0.000	1	113.6663	37.920	3
762	14	490	0:SP2_SP3_SP3	C[6]	P[6]	C	3:3:4:	3:4:3:	3:1:1:1:	P[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3)	P[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C(C[6]C[6]P[6])(H)3	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]P[6])(H)3	117.2215	0.063	2	117.2215	0.004	2	117.2215	0.004	2	117.2215	0.004	2	117.2215	0.004	2	113.6663	37.920	3
762	14	622	6:SP2_SP2_SP3	C[6]	P[6]	O[6]	3:2:2:	3:4:3:	4:3:	P[6]-3:O[6]-2:O-2:	C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-3:	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	O[6](B[6]C[6a]2C[6])(C[6]P[6]O)	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB){1|C<4>,2|H<1>,4|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]O){1|C<4>,2|H<1>,5|C<3>}	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1
762	14	643	0:SP2_SP2_SP3	C[6,6]	P[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	P[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2{1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.4885	1.585	2	120.4885	2.511	2	120.4885	2.511	2	120.4885	2.511	2	120.4885	2.511	2	118.9660	3.520	6
762	14	643	0:SP2_SP2_SP3	C[6]	P[6]	C[6a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:P[6]-3:N[6]-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(P[6]C[6]C)(N[6]P[6])	P[6](C[6]C[6a]N[6])2(CSi2H)	C[6a](C[6]N[6]P[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(P[6]C[6]C)(N[6]P[6]){1|C<4>,1|N<2>,1|W<6>,2|H<1>,3|C<3>}	P[6](C[6]C[6a]N[6])2(CSi2H){1|P<4>,4|C<3>}	C[6a](C[6]N[6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	119.3050	1.738	2	119.3050	3.021	2	119.3050	3.021	2	119.3050	3.021	2	118.2048	2.712	4	118.9660	3.520	6
762	14	643	0:SP2_SP2_SP3	C[6]	P[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:P[6]-3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(P[6]C[6]S)	P[6](C[6]C[6a]C[6])2(S)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(P[6]C[6]S){3|H<1>,6|C<3>}	P[6](C[6]C[6a]C[6])2(S){7|C<3>}	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|S<1>,2|H<1>,4|C<3>}	117.1045	0.521	2	117.1045	0.272	2	117.1045	0.272	2	117.1045	0.272	2	118.2048	2.712	4	118.9660	3.520	6
762	14	762	0:SP2_SP2_SP3	C[3x6]	P[3x6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[3x6]-3:P[3x6]-3:C[6]-3:	C[3x6]-3:C[3x6]-3:C[3x6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H)	P[3x6](C[3x6]N[3x6]C[6])3	C[6](C[3x6]N[3x6]P[3x6])(C[6]C[6]H)(H)	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	P[3x6](C[3x6]N[3x6]C[6])3{1|As<3>,3|H<1>,6|C<3>}	C[6](C[3x6]N[3x6]P[3x6])(C[6]C[6]H)(H){1|As<3>,1|H<1>,3|C<3>}	119.6997	0.245	3	119.6997	0.060	3	119.6997	0.060	3	119.6997	0.060	3	119.6997	0.060	3	123.4218	55.456	4
762	14	762	0:SP2_SP2_SP3	C[6]	P[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	P[6]-3:C[6]-3:C[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6])	P[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H)	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|P<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	134.5880	0.000	1	134.5880	0.000	1	134.5880	0.000	1	134.5880	0.000	1	134.5880	0.000	1	123.4218	55.456	4
762	14	762	6:SP2_SP2_SP3	C[6,6]	P[3x6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	P[3x6]-3:C[6,6]-3:C-3:	C[5,6,6]-3:C[5,6,6]-3:C[6,6]-3:	P[3x6]-3:C[6,6]-3:C-3:	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO)	P[3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]C)	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO)	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO){1|N<3>,1|S<2>,2|C<3>}	P[3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]C){1|C<4>,1|N<3>,1|P<3>,1|S<2>,3|C<3>}	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO){1|N<3>,1|S<2>,2|C<3>}	121.6700	0.731	2	121.6700	0.535	2	121.6700	0.535	2	121.6700	0.535	2	117.6962	13.630	5	120.3519	25.854	14
762	14	762	6:SP2_SP2_SP3	C[6,6]	P[3x6]	C[6,6]	3:3:3:	3:3:3:	4:3:1:	P[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2{1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|H<1>,7|C<3>}	115.5185	0.125	2	115.5185	0.016	2	115.5185	0.016	2	115.5185	0.016	2	117.6962	13.630	5	120.3519	25.854	14
762	14	762	6:SP2_SP2_SP3	C[6,6]	P[3x6]	C[6,6]	3:3:4:	3:3:3:	4:3:4:	P[3x6]-3:C[6,6]-3:Si-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]C)(SiC3)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Si)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Si)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|C<4>,3|C<3>}	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	117.6962	13.630	5	120.3519	25.854	14
762	14	762	6:SP2_SP2_SP3	C[6]	P[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	P[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](P[6]C[6,6a]C[6a])(C[6]C[6]H)(Br)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	C[6](P[6]C[6,6a]C[6a])(C[6]C[6]H)(Br){2|C<4>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){3|C<3>}	127.8135	0.095	2	127.8135	0.009	2	127.8135	0.009	2	127.8135	0.009	2	121.8273	28.341	9	120.3519	25.854	14
762	14	762	6:SP2_SP2_SP3	C[6]	P[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:P[6]-3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(P[6]C[6]S)	P[6](C[6]C[6a]C[6])2(S)	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(P[6]C[6]S){3|H<1>,6|C<3>}	P[6](C[6]C[6a]C[6])2(S){7|C<3>}	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H){1|S<1>,2|H<1>,6|C<3>}	118.3450	0.776	2	118.3450	0.603	2	118.3450	0.603	2	118.3450	0.603	2	121.8273	28.341	9	120.3519	25.854	14
762	14	762	6:SP2_SP2_SP3	C[6]	P[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:P[6]-3:Si-4:	C[6]-3:C[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(P[6]C[6]S)(SiC3)	P[6](C[6]C[6]Si)2(S)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(P[6]C[6]S)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	P[6](C[6]C[6]Si)2(S){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){1|S<1>,2|H<1>,4|C<3>}	115.3820	0.011	2	115.3820	0.000	2	115.3820	0.000	2	115.3820	0.000	2	121.8273	28.341	9	120.3519	25.854	14
762	14	762	6:SP2_SP2_SP3	C[6]	P[6]	C[6]	3:3:4:	3:4:3:	4:3:1:	P[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3)	P[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(C[6]P[6]C)(H)	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]P[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	122.3580	0.092	2	122.3580	0.008	2	122.3580	0.008	2	122.3580	0.008	2	121.8273	28.341	9	120.3519	25.854	14
762	14	762	6:SP2_SP2_SP3	C[6]	P[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	P[6]-3:C[6]-3:Si-4:	P[5,6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](P[6]P[5,6]C[6a])(C[6]C[6,6a]H)(SiC[6a]CC)	P[6](P[5,6]C[5,6,6a]C[5]W)(C[6a]C[6a]2)(C[6]C[6]Si)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]P[6]Si)(H)	C[6](P[6]P[5,6]C[6a])(C[6]C[6,6a]H)(SiC[6a]CC){1|W<6>,5|C<3>}	P[6](P[5,6]C[5,6,6a]C[5]W)(C[6a]C[6a]2)(C[6]C[6]Si){1|Si<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]P[6]Si)(H){1|H<1>,1|P<4>,3|C<3>}	128.6490	0.000	1	128.6490	0.000	1	128.6490	0.000	1	128.6490	0.000	1	121.8273	28.341	9	120.3519	25.854	14
762	14	818	6:SP2_SP2_SP3	C[6]	P[3x6]	C[5,6]	3:3:4:	4:3:4:	3:3:4:	P[3x6]-3:C[5,6]-3:C[3x6]-4:	C[4x6]-4:C[6]-3:C[6,6]-4:	C[6]-3:N[5,6]-3:C[5]-4:	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3)	P[3x6](C[4x6]C[3x6]C[6,6]C)(C[6]C[3x6]C[5,6])(C[6,6]C[3x6]HH)	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC)	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3){2|C<3>,8|H<1>,9|C<4>}	P[3x6](C[4x6]C[3x6]C[6,6]C)(C[6]C[3x6]C[5,6])(C[6,6]C[3x6]HH){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC){1|C<3>,2|H<1>,7|C<4>}	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	122.3600	0.074	2	122.3600	0.074	2
762	14	818	6:SP2_SP2_SP3	C[6]	P[3x6]	C[5,6]	3:3:4:	4:4:3:	3:3:4:	P[3x6]-3:C[5,6]-3:C-4:	C[4x6]-4:C[6,6]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3)	P[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[5,6]C)	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC)	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3){2|C<3>,2|H<1>,6|C<4>}	P[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC){1|C<3>,2|H<1>,4|C<4>}	122.5530	0.000	1	122.5530	0.000	1	122.5530	0.000	1	122.5530	0.000	1	122.3600	0.074	2	122.3600	0.074	2
762	14	856	6:SP2_SP2_SP3	C[3x6]	P[3x6]	N[3x6]	3:3:3:	3:3:3:	3:3:3:	N[3x6]-3:P[3x6]-3:C[6]-3:	C[3x6]-3:C[3x6]-3:C[3x6]-3:	C[3x6]-3:As[3x6]-3:C[6]-3:	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H)	P[3x6](C[3x6]N[3x6]C[6])3	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H)	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	P[3x6](C[3x6]N[3x6]C[6])3{1|As<3>,3|H<1>,6|C<3>}	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	121.1147	0.238	3	121.1147	0.057	3	121.1147	0.057	3	121.1147	0.057	3	121.1147	0.057	3	121.1147	0.057	3
762	14	863	0:SP2_SP2_SP3	C[6]	P[6]	O	3:4:1:	3:3:3:	3:	P[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O)	P[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]P[6])	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]P[6])	120.6020	0.907	2	120.9060	0.627	4	120.9060	0.627	4	120.9060	0.627	4	120.9060	0.627	4	120.9060	0.627	4
762	14	863	0:SP2_SP2_SP3	C[6]	P[6]	O	3:4:1:	3:3:3:	3:	P[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O)	P[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]P[6])	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]P[6])	121.2100	0.830	2	120.9060	0.627	4	120.9060	0.627	4	120.9060	0.627	4	120.9060	0.627	4	120.9060	0.627	4
762	14	880	0:SP2_SP3_SP3	C[6,6]	P[3x6]	Si	3:3:4:	3:3:3:	3:4:4:4:	P[3x6]-3:C[6,6]-3:Si-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C-4:C-4:C-4:	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]C)(SiC3)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Si)2	Si(C[6,6]C[6,6]P[3x6])(CH3)3	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Si)2{1|H<1>,2|C<3>,3|C<4>}	Si(C[6,6]C[6,6]P[3x6])(CH3)3	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	114.6610	27.689	4
762	14	880	0:SP2_SP3_SP3	C[6]	P[6]	Si	3:3:4:	3:3:1:	3:4:4:4:	C[6]-3:P[6]-3:Si-4:	C[6]-3:C[6]-3:S-1:	C[6]-3:C-4:C-4:C-4:	C[6](C[6]C[6a]C[6])(P[6]C[6]S)(SiC3)	P[6](C[6]C[6]Si)2(S)	Si(C[6]C[6]P[6])(CH3)3	C[6](C[6]C[6a]C[6])(P[6]C[6]S)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	P[6](C[6]C[6]Si)2(S){3|C<3>}	Si(C[6]C[6]P[6])(CH3)3	118.6280	1.930	2	118.6280	3.726	2	118.6280	3.726	2	118.6280	3.726	2	115.0290	40.722	3	114.6610	27.689	4
762	14	880	0:SP2_SP3_SP3	C[6]	P[6]	Si	3:3:4:	4:3:3:	3:3:4:4:	P[6]-3:C[6]-3:Si-4:	P[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C-4:C-4:	C[6](P[6]P[5,6]C[6a])(C[6]C[6,6a]H)(SiC[6a]CC)	P[6](P[5,6]C[5,6,6a]C[5]W)(C[6a]C[6a]2)(C[6]C[6]Si)	Si(C[6]C[6]P[6])(C[6a]C[6a]2)(CH3)2	C[6](P[6]P[5,6]C[6a])(C[6]C[6,6a]H)(SiC[6a]CC){1|W<6>,5|C<3>}	P[6](P[5,6]C[5,6,6a]C[5]W)(C[6a]C[6a]2)(C[6]C[6]Si){1|Si<4>,3|H<1>,5|C<3>}	Si(C[6]C[6]P[6])(C[6a]C[6a]2)(CH3)2	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	115.0290	40.722	3	114.6610	27.689	4
762	14	893	0:SP2_SP2_SP3	C[6]	P[6]	O	3:2:2:	3:4:3:	3:4:	P[6]-3:O[6]-2:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:B-4:	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]O[6]P[6])(BC[6a]2C)	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB){1|C<4>,2|H<1>,4|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]O[6]P[6])(BC[6a]2C)	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1
762	14	914	6:SP2_SP2_SP3	C[6]	P[6]	N[6]	3:3:2:	3:3:4:	3:4:	C[6a]-3:P[6]-3:N[6]-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:P[6]-4:	C[6](C[6a]C[6a]2)(P[6]C[6]C)(N[6]P[6])	P[6](C[6]C[6a]N[6])2(CSi2H)	N[6](C[6]C[6a]P[6])(P[6]N[6]CW)	C[6](C[6a]C[6a]2)(P[6]C[6]C)(N[6]P[6]){1|C<4>,1|N<2>,1|W<6>,2|H<1>,3|C<3>}	P[6](C[6]C[6a]N[6])2(CSi2H){1|P<4>,4|C<3>}	N[6](C[6]C[6a]P[6])(P[6]N[6]CW){1|C<4>,3|C<3>}	122.1835	1.384	2	122.1835	1.915	2	122.1835	1.915	2	122.1835	1.915	2	122.1835	1.915	2	122.1835	1.915	2
762	14	924	0:SP2_SP-NON_SP3	C[6]	P[6]	Br	3:3:1:	3:3:3:	3:	P[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](P[6]C[6,6a]C[6a])(C[6]C[6]H)(Br)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	Br(C[6]C[6]P[6])	C[6](P[6]C[6,6a]C[6a])(C[6]C[6]H)(Br){2|C<4>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|C<4>,4|C<3>,4|H<1>}	Br(C[6]C[6]P[6])	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1
762	14	930	0:SP2_SP2_SP3	C[6,6]	P[3x6]	C	3:3:3:	3:3:3:	3:2:1:	P[3x6]-3:C[6,6]-3:C-3:	C[5,6,6]-3:C[5,6,6]-3:C[6,6]-3:	C[6,6]-3:O-2:O-1:	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO)	P[3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]C)	C(C[6,6]C[6,6]P[3x6])(OC)(O)	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO){1|N<3>,1|S<2>,2|C<3>}	P[3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]C){1|C<4>,1|N<3>,1|P<3>,1|S<2>,3|C<3>}	C(C[6,6]C[6,6]P[3x6])(OC)(O)	113.7765	0.972	2	113.7765	0.945	2	113.7765	0.945	2	113.7765	0.945	2	113.7765	0.945	2	114.9837	4.844	3
762	14	930	0:SP2_SP2_SP3	C[6]	P[6]	C	3:3:3:	3:3:4:	3:1:1:	P[6]-3:P[6]-3:C-3:	P[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](P[6]P[6]Sn)(P[6]P[6]C)(CHH)	P[6](P[6]C[6]Sn)(C[6]P[6]C)(CSnCH)	C(C[6]P[6]2)(H)2	C[6](P[6]P[6]Sn)(P[6]P[6]C)(CHH){1|Sn<4>,1|C<3>,1|C<4>}	P[6](P[6]C[6]Sn)(C[6]P[6]C)(CSnCH){1|C<3>,1|P<3>}	C(C[6]P[6]2)(H)2	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	114.9837	4.844	3
762	18	490	0:SP2_SP3_SPD6	C[6]	B[4x3,4,5x5,22x6]	C	6:3:4:	6:6:5:5:6:3:	3:1:1:1:	B[4x3,4,5x5,22x6]-6:C[6,6a]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6,6a]C)	C(C[6]B[4x3,4,5x5,22x6]C[6,6a])(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6,6a]C){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C(C[6]B[4x3,4,5x5,22x6]C[6,6a])(H)3	116.7220	0.000	1	116.7220	0.000	1	116.7220	0.000	1	116.7220	0.000	1	116.9008	0.326	4	117.0632	0.511	8
762	18	490	0:SP2_SP3_SPD6	C[6]	B[4x3,4,5x5,22x6]	C	6:3:4:	6:6:5:5:6:3:	3:4:1:1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>,5|B<6>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	116.7960	0.000	1	116.7960	0.000	1	116.9603	0.467	3	116.9603	0.467	3	116.9008	0.326	4	117.0632	0.511	8
762	18	490	0:SP2_SP3_SPD6	C[6]	B[4x3,4,5x5,22x6]	C	6:3:4:	6:6:5:5:6:3:	3:4:1:1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2Si)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>,3|H<1>,5|B<6>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2Si)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	116.3740	0.000	1	116.3740	0.000	1	116.9603	0.467	3	116.9603	0.467	3	116.9008	0.326	4	117.0632	0.511	8
762	18	490	0:SP2_SP3_SPD6	C[6]	B[4x3,4,5x5,22x6]	C	6:3:4:	6:6:5:5:6:3:	3:4:1:1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|H<1>,4|C<3>,5|B<6>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	117.7110	0.000	1	117.7110	0.000	1	116.9603	0.467	3	116.9603	0.467	3	116.9008	0.326	4	117.0632	0.511	8
762	18	490	0:SP2_SP3_SPD6	C[6]	B[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH){1|C<6>,3|C<3>,4|B<6>,4|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	118.5270	0.000	1	118.5270	0.000	1	118.5270	0.000	1	117.2258	0.795	4	117.2258	0.795	4	117.0632	0.511	8
762	18	490	0:SP2_SP3_SPD6	C[6]	B[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	116.5380	0.000	1	116.5380	0.000	1	116.7920	0.064	3	117.2258	0.795	4	117.2258	0.795	4	117.0632	0.511	8
762	18	490	0:SP2_SP3_SPD6	C[6]	B[5x3,5x5,21x6]	C	6:3:4:	6:6:6:6:6:3:	3:4:1:1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){2|C<4>,3|C<3>,3|H<1>,5|B<6>}	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C){1|B<6>,3|C<3>,5|H<1>}	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	116.9190	0.178	2	116.9190	0.032	2	116.7920	0.064	3	117.2258	0.795	4	117.2258	0.795	4	117.0632	0.511	8
762	18	643	0:SP2_SP2_SPD6	C[6]	B[4x3,4,5x5,22x6]	C[6a]	6:3:3:	6:6:5:5:6:3:	3:3:3:	B[4x3,4,5x5,22x6]-6:C[6]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6a]C[6])	C[6a](C[6]B[4x3,4,5x5,22x6]C[6])(C[6a]C[6a]H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,5|B<6>,5|H<1>,6|C<3>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6a]C[6]){1|B<6>,5|C<3>,5|H<1>}	C[6a](C[6]B[4x3,4,5x5,22x6]C[6])(C[6a]C[6a]H)2{2|C<5>,2|H<1>,3|B<6>,3|C<3>}	116.8900	0.000	1	116.8900	0.000	1	116.8900	0.000	1	116.8900	0.000	1	116.8900	0.000	1	117.5140	1.776	5
762	18	643	0:SP2_SP2_SPD6	C[6]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6a]C[6])	C[6a](C[6]B[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<6>,4|B<6>,6|C<3>,6|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6a]C[6]){1|B<6>,5|C<3>,5|H<1>}	C[6a](C[6]B[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<6>,2|H<1>,3|C<3>,4|B<6>}	116.8310	1.410	2	116.8310	1.988	2	116.8310	1.988	2	117.6700	2.205	4	117.6700	2.205	4	117.5140	1.776	5
762	18	643	0:SP2_SP2_SPD6	C[6]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[6]C[6a]C[6])	C[6a](C[6]B[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){5|B<6>,6|C<3>,6|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[6]C[6a]C[6]){1|B<6>,5|C<3>,5|H<1>}	C[6a](C[6]B[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{2|C<6>,2|H<1>,3|B<6>,3|C<3>}	118.5090	1.346	2	118.5090	1.813	2	118.5090	1.813	2	117.6700	2.205	4	117.6700	2.205	4	117.5140	1.776	5
762	18	643	6:SP2_SP2_SPD6	C[6]	B[4x3,4,5x5,22x6]	C[6,6a]	6:3:4:	6:6:5:5:6:3:	3:3:3:	B[4x3,4,5x5,22x6]-6:C[6,6a]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C[6,6a]-3:C[6a]-3:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6,6a]C)	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6,6a]C){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<5>,2|H<1>,3|B<6>}	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1
762	18	762	0:SP2_SP2_SPD6	C[6]	B[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]2)	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H){1|Ir<8>,1|C<3>,1|C<6>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]2){1|B<6>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	122.3225	102.976	2	122.3225	102.976	2
762	18	762	0:SP2_SP2_SPD6	C[6]	B[5x3,5x5,20x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:4:3:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]2)	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]IrH)(CNO)	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H){1|Ir<8>,1|C<3>,1|C<6>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]2){1|B<6>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]IrH)(CNO){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	129.4980	0.000	1	129.4980	0.000	1	129.4980	0.000	1	129.4980	0.000	1	122.3225	102.976	2	122.3225	102.976	2
762	18	762	6:SP2_SP2_SPD6	C[6]	B[4x3,4,5x5,22x6]	C[6]	6:3:3:	6:6:5:5:6:3:	3:3:3:	B[4x3,4,5x5,22x6]-6:C[6]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6a]C[6])	C[6](C[6]B[4x3,4,5x5,22x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,5|B<6>,5|H<1>,6|C<3>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6a]C[6]){1|B<6>,5|C<3>,5|H<1>}	C[6](C[6]B[4x3,4,5x5,22x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<5>,2|H<1>,3|B<6>,7|C<3>}	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	120.2740	0.366	4	120.3978	0.597	12
762	18	762	6:SP2_SP2_SPD6	C[6]	B[4x3,4,5x5,22x6]	C[6]	6:3:4:	6:6:5:5:6:3:	3:3:3:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|H<1>,4|C<3>,5|B<6>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C){1|B<6>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|C<5>,2|H<1>,3|B<6>,4|C<3>}	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	120.2740	0.366	4	120.3978	0.597	12
762	18	762	6:SP2_SP2_SPD6	C[6]	B[4x3,4,5x5,22x6]	C[6]	6:3:4:	6:6:5:5:6:3:	3:3:4:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>,5|B<6>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	120.0070	0.000	1	120.0070	0.000	1	120.0970	0.016	2	120.0970	0.016	2	120.2740	0.366	4	120.3978	0.597	12
762	18	762	6:SP2_SP2_SPD6	C[6]	B[4x3,4,5x5,22x6]	C[6]	6:3:4:	6:6:5:5:6:3:	3:3:4:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,15x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2Si)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>,3|H<1>,5|B<6>}	B[4x3,4,5x5,22x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6])(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2Si)(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	120.1870	0.000	1	120.1870	0.000	1	120.0970	0.016	2	120.0970	0.016	2	120.2740	0.366	4	120.3978	0.597	12
762	18	762	6:SP2_SP2_SPD6	C[6]	B[5x3,5x5,21x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6a]C[6])	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<6>,4|B<6>,6|C<3>,6|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6a]C[6]){1|B<6>,5|C<3>,5|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<6>,2|H<1>,4|B<6>,7|C<3>}	121.6115	0.128	2	121.6115	0.016	2	121.6115	0.016	2	120.5680	1.541	4	120.4597	0.767	8	120.3978	0.597	12
762	18	762	6:SP2_SP2_SPD6	C[6]	B[5x3,5x5,21x6]	C[6]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[6]C[6a]C[6])	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){5|B<6>,6|C<3>,6|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[6]C[6a]C[6]){1|B<6>,5|C<3>,5|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<6>,2|H<1>,3|B<6>,7|C<3>}	119.5245	0.500	2	119.5245	0.250	2	119.5245	0.250	2	120.5680	1.541	4	120.4597	0.767	8	120.3978	0.597	12
762	18	762	6:SP2_SP2_SPD6	C[6]	B[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:2:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH){1|C<6>,3|C<3>,4|B<6>,4|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6]C[6]C){1|B<6>,1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<6>,1|O<1>,2|C<3>,2|H<1>,4|B<6>}	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	120.4597	0.767	8	120.3978	0.597	12
762	18	762	6:SP2_SP2_SPD6	C[6]	B[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){2|C<4>,3|C<3>,3|H<1>,5|B<6>}	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C){1|B<6>,3|C<3>,5|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){2|C<6>,2|H<1>,3|B<6>,3|C<3>}	120.6620	0.040	2	120.6620	0.002	2	120.6620	0.002	2	120.6620	0.002	2	120.4597	0.767	8	120.3978	0.597	12
762	18	762	6:SP2_SP2_SPD6	C[6]	B[5x3,5x5,21x6]	C[6]	6:3:4:	6:6:6:6:6:3:	3:3:4:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6]C[6]C){1|B<6>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	120.4080	0.000	1	120.4080	0.000	1	120.4080	0.000	1	120.4080	0.000	1	120.4597	0.767	8	120.3978	0.597	12
762	74	206	0:SP2_SP1_SP2	C[6]	N[4]	C[6]	3:3:2:	4:3:3:	3:3:	C[6]-3:N[4]-3:C[6]-2:	C[4]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6])	N[4](C[4]C[4]CH)(C[4]C[4]O)(C[6]C[6]2)	C[6](C[6]C[6]N[4])(C[6]C[6]H)	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[4]CH)(C[4]C[4]O)(C[6]C[6]2){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[4])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1
762	74	466	6:SP2_SP2_SP3	C[6]	N[4,6]	C[6]	3:4:1:	3:3:3:	3:3:4:4:	N[4,6]-3:C[6]-4:O-1:	C[4,6]-3:P[4]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6](N[4,6]C[4,6]P[4])(C[6]C[6]CC)(O)	N[4,6](C[4,6]C[4]N[6])(P[4]C[6a]C[4])(C[6]C[6]O)	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2	C[6](N[4,6]C[4,6]P[4])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	N[4,6](C[4,6]C[4]N[6])(P[4]C[6a]C[4])(C[6]C[6]O){3|C<4>,4|C<3>}	C[6](C[6]N[4,6]O)(C[6]N[6]O)(CH3)2{1|P<3>,2|C<3>}	115.0430	0.255	2	115.0430	0.065	2	115.0430	0.065	2	115.0430	0.065	2	115.0430	0.065	2	115.0430	0.065	2
762	74	490	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:4:	3:3:3:	3:1:1:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:Ge[4]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]Cl)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]Cl)(C[6]C[6]C){2|C<3>,2|H<1>}	C(C[6]N[4,6]C[6])(H)3	117.1790	0.000	1	117.1790	0.000	1	117.2445	0.009	2	117.2445	0.009	2	119.4489	6.540	9	119.4489	6.540	9
762	74	490	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:4:	3:3:3:	3:1:1:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:Ge[4]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]N)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]N)(C[6]C[6]C){2|C<3>,2|H<1>}	C(C[6]N[4,6]C[6])(H)3	117.3100	0.000	1	117.3100	0.000	1	117.2445	0.009	2	117.2445	0.009	2	119.4489	6.540	9	119.4489	6.540	9
762	74	490	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:4:	3:4:3:	3:1:1:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:B[4]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	N[4,6](C[4,6]C[4]C[6])(B[4]C[4]Cl2)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[4,6](C[4,6]C[4]C[6])(B[4]C[4]Cl2)(C[6]C[6]C){1|C<3>,1|P<4>,3|H<1>}	C(C[6]N[4,6]C[6])(H)3	118.2020	0.363	2	118.2020	0.132	2	118.1320	0.081	3	118.1320	0.081	3	119.4489	6.540	9	119.4489	6.540	9
762	74	490	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:4:	3:4:3:	3:1:1:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:B[4]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	N[4,6](C[4,6]C[6]N[4])(B[4]N[4]Br2)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[4,6](C[4,6]C[6]N[4])(B[4]N[4]Br2)(C[6]C[6]C){1|Si<4>,1|C<3>,2|H<1>}	C(C[6]N[4,6]C[6])(H)3	117.9920	0.000	1	117.9920	0.000	1	118.1320	0.081	3	118.1320	0.081	3	119.4489	6.540	9	119.4489	6.540	9
762	74	490	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:4:	3:4:3:	3:4:4:4:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:Si[4]-4:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3)	N[4,6](C[4,6]C[4]C[6])(Si[4]C[4]CC)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(CH3)3	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,3|C<4>}	N[4,6](C[4,6]C[4]C[6])(Si[4]C[4]CC)(C[6]C[6]C){1|C<3>,4|H<1>}	C(C[6]N[4,6]C[6])(CH3)3	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	119.4489	6.540	9	119.4489	6.540	9
762	74	490	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:4:	4:3:3:	3:1:1:1:	N[4,6]-3:C[6]-3:C-4:	B[4]-4:C[4,6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	N[4,6](B[4]C[6a]2C[4])(C[4,6]C[4]C[6])(C[6]C[6]C)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	N[4,6](B[4]C[6a]2C[4])(C[4,6]C[4]C[6])(C[6]C[6]C){4|H<1>,5|C<3>}	C(C[6]N[4,6]C[6])(H)3	118.0290	0.000	1	118.0290	0.000	1	118.0290	0.000	1	118.0290	0.000	1	119.4489	6.540	9	119.4489	6.540	9
762	74	490	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:4:	5:4:3:	3:1:1:1:	N[4,6]-3:C[6]-3:C-4:	Nb[4,6]-5:C[4]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	N[4,6](Nb[4,6]C[4]N[6]NN)(C[4]C[4]CC)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,4|C<4>}	N[4,6](Nb[4,6]C[4]N[6]NN)(C[4]C[4]CC)(C[6]C[6]C){2|C<3>,3|H<1>}	C(C[6]N[4,6]C[6])(H)3	123.7970	0.000	1	123.4220	0.281	2	123.4220	0.281	2	123.4220	0.281	2	119.4489	6.540	9	119.4489	6.540	9
762	74	490	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:4:	5:4:3:	3:1:1:1:	N[4,6]-3:C[6]-3:C-4:	Nb[4,6]-5:C[4]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	N[4,6](Nb[4,6]C[4]N[6]NN)(C[4]C[4]CC)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(H)3	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<3>,2|N<2>,4|C<4>}	N[4,6](Nb[4,6]C[4]N[6]NN)(C[4]C[4]CC)(C[6]C[6]C){2|C<3>,3|H<1>}	C(C[6]N[4,6]C[6])(H)3	123.0470	0.000	1	123.4220	0.281	2	123.4220	0.281	2	123.4220	0.281	2	119.4489	6.540	9	119.4489	6.540	9
762	74	643	0:SP2_SP2_SP2	C[6]	N[4,6]	C[6a]	3:3:3:	4:4:3:	3:3:3:	N[4,6]-3:N[6]-3:C[6a]-3:	Ga[4,6]-4:Ga[4,6,6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2)	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6])	C[6a](C[6]N[4,6]N[6])(C[6a]C[6a]H)2	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|N<4>,3|C<4>,4|C<3>}	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6]){3|Ga<4>,7|C<3>}	C[6a](C[6]N[4,6]N[6])(C[6a]C[6a]H)2{3|Ga<4>,2|C<3>,2|H<1>}	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1
762	74	643	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6,6a]	3:3:1:	7:2:3:	3:3:3:	N[4,6]-3:C[6,6a]-3:H-1:	Nb[3,4,4,6]-7:O[4]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[4,6]Nb[3,4,4,6]O[4])(C[6,6a]C[6,6a]C[6a])(H)	N[4,6](Nb[3,4,4,6]Nb[3,4,4,6]O[3]O[4]O[6]OO)(O[4]Nb[3,4,4,6])(C[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[4,6]H)(C[6a]C[6a]H)	C[6](N[4,6]Nb[3,4,4,6]O[4])(C[6,6a]C[6,6a]C[6a])(H){1|Nb<7>,1|H<1>,2|C<3>,5|O<2>}	N[4,6](Nb[3,4,4,6]Nb[3,4,4,6]O[3]O[4]O[6]OO)(O[4]Nb[3,4,4,6])(C[6]C[6,6a]H){1|N<3>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[4,6]H)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|O<2>,2|H<1>}	124.1130	0.069	2	124.1130	0.005	2	124.1130	0.005	2	124.1130	0.005	2	124.1130	0.005	2	124.1130	0.005	2
762	74	762	0:SP2_SP2_SP2	C[6]	N[4]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:N[4]-3:C[6]-2:	C[4]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6])	N[4](C[4]C[4]CH)(C[4]C[4]O)(C[6]C[6]2)	C[6](C[6]C[6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[4]CH)(C[4]C[4]O)(C[6]C[6]2){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[4])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	N[4,6]-3:C[6]-3:H-1:	C[4,6]-3:Si[4]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H)	N[4,6](C[4,6]Si[4]C[6])(Si[4]Si[4]SiH)(C[6]C[6]H)	C[6](C[6]N[4,6]H)(C[6]C[6]N)(H)	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H){1|Si<3>,1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	N[4,6](C[4,6]Si[4]C[6])(Si[4]Si[4]SiH)(C[6]C[6]H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]N[4,6]H)(C[6]C[6]N)(H){1|Si<4>,1|C<3>,1|H<1>}	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:1:	5:3:3:	3:3:1:	N[4,6]-3:C[6]-3:H-1:	Si[4,4]-5:C[4,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H)	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H)	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H)	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	119.9240	0.000	1	119.9240	0.000	1	119.9240	0.000	1	120.0125	0.027	4	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:1:	5:3:3:	3:3:1:	N[4,6]-3:C[6]-3:H-1:	Si[4]-5:C[4,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	120.0420	0.189	3	120.0420	0.036	3	120.0420	0.036	3	120.0125	0.027	4	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:1:	6:3:3:	3:3:1:	N[4,6]-3:C[6]-3:H-1:	Si[4,4]-6:C[4,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H)	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H)	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H)	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|S<2>}	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	120.2495	0.317	2	120.2495	0.101	2	120.2495	0.101	2	120.2495	0.101	2	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[4,6]-3:C[6]-3:N-3:	C[4,6]-3:B[4]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si)	N[4,6](C[4,6]C[6]N[4])(B[4]N[4]ClN)(C[6]C[6]N)	C[6](C[6]N[4,6]N)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	N[4,6](C[4,6]C[6]N[4])(B[4]N[4]ClN)(C[6]C[6]N){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]N[4,6]N)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	117.0903	0.301	3	117.0903	0.091	3	117.0903	0.091	3	117.0903	0.091	3	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:3:	4:3:3:	3:4:3:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH){1|C<3>,1|C<4>}	121.0100	0.000	1	121.0100	0.000	1	121.0100	0.000	1	121.0100	0.000	1	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:3:	4:3:3:	3:4:4:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3){1|C<3>,1|C<4>}	119.3210	0.638	3	119.3210	0.406	3	119.2580	0.287	4	119.2580	0.287	4	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:3:	4:3:3:	3:4:4:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS){1|C<3>,1|C<4>}	119.0690	0.000	1	119.0690	0.000	1	119.2580	0.287	4	119.2580	0.287	4	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:Ge[4]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]Cl)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]Cl)(C[6]C[6]C){2|C<3>,2|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	118.4630	0.000	1	118.4630	0.000	1	118.8485	0.297	2	118.8485	0.297	2	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:Ge[4]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]N)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]N)(C[6]C[6]C){2|C<3>,2|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	119.2340	0.000	1	119.2340	0.000	1	118.8485	0.297	2	118.8485	0.297	2	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:B[4]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	N[4,6](C[4,6]C[4]C[6])(B[4]C[4]Cl2)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[4,6](C[4,6]C[4]C[6])(B[4]C[4]Cl2)(C[6]C[6]C){1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	116.2860	0.061	2	116.2860	0.004	2	116.3880	0.033	3	116.5648	0.147	4	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:B[4]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	N[4,6](C[4,6]C[6]N[4])(B[4]N[4]Br2)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[4,6](C[4,6]C[6]N[4])(B[4]N[4]Br2)(C[6]C[6]C){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	116.5920	0.000	1	116.5920	0.000	1	116.3880	0.033	3	116.5648	0.147	4	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[4,6]-3:Si[4]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3)	N[4,6](C[4,6]C[4]C[6])(Si[4]C[4]CC)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,3|C<4>}	N[4,6](C[4,6]C[4]C[6])(Si[4]C[4]CC)(C[6]C[6]C){1|C<3>,4|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	116.5648	0.147	4	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	B[4]-4:C[4,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	N[4,6](B[4]C[6a]2C[4])(C[4,6]C[4]C[6])(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	N[4,6](B[4]C[6a]2C[4])(C[4,6]C[4]C[6])(C[6]C[6]C){4|H<1>,5|C<3>}	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	118.5880	0.000	1	118.5880	0.000	1	118.5880	0.000	1	118.5880	0.000	1	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:4:	5:4:3:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	Nb[4,6]-5:C[4]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	N[4,6](Nb[4,6]C[4]N[6]NN)(C[4]C[4]CC)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,4|C<4>}	N[4,6](Nb[4,6]C[4]N[6]NN)(C[4]C[4]CC)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	120.9190	0.000	1	120.8900	0.002	2	120.8900	0.002	2	120.8900	0.002	2	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP2	C[6]	N[4,6]	C[6]	3:3:4:	5:4:3:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	Nb[4,6]-5:C[4]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	N[4,6](Nb[4,6]C[4]N[6]NN)(C[4]C[4]CC)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<3>,2|N<2>,4|C<4>}	N[4,6](Nb[4,6]C[4]N[6]NN)(C[4]C[4]CC)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	120.8610	0.000	1	120.8900	0.002	2	120.8900	0.002	2	120.8900	0.002	2	118.9918	2.712	24	118.9918	2.712	24
762	74	762	6:SP2_SP2_SP3	C[6]	N[4,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	N[4,6]-3:C[6]-3:H-1:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](N[4,6]C[4,6]C[4])(C[6]N[6]H)(H)	N[4,6](C[4,6]C[6a]C[4]C[6])(C[4]C[4]O)(C[6]C[6]H)	C[6](C[6]N[4,6]H)(N[6]C[6]C)(H)	C[6](N[4,6]C[4,6]C[4])(C[6]N[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[4,6](C[4,6]C[6a]C[4]C[6])(C[4]C[4]O)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[4,6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	118.3988	1.516	5	118.3988	1.516	5
762	74	762	6:SP2_SP2_SP3	C[6]	N[4,6]	C[6]	3:3:3:	4:3:3:	3:4:4:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3){1|C<3>,1|C<4>}	117.4170	0.000	1	117.4170	0.000	1	118.7700	1.102	4	118.7700	1.102	4	118.3988	1.516	5	118.3988	1.516	5
762	74	762	6:SP2_SP2_SP3	C[6]	N[4,6]	C[6]	3:3:3:	4:3:3:	3:4:4:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO){1|C<3>,1|C<4>}	119.5995	0.080	2	119.5995	0.006	2	118.7700	1.102	4	118.7700	1.102	4	118.3988	1.516	5	118.3988	1.516	5
762	74	762	6:SP2_SP2_SP3	C[6]	N[4,6]	C[6]	3:3:3:	4:3:3:	3:4:4:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH){1|C<3>,1|C<4>}	118.4640	0.000	1	118.4640	0.000	1	118.7700	1.102	4	118.7700	1.102	4	118.3988	1.516	5	118.3988	1.516	5
762	74	856	6:SP2_SP2_SP2	C[6]	N[4,6]	N[6]	3:3:3:	4:4:3:	4:3:3:	N[4,6]-3:N[6]-3:C[6a]-3:	Ga[4,6]-4:Ga[4,6,6]-4:C[6]-3:	Ga[4,6]-4:C[6]-3:C[6a]-3:	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2)	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6])	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2)	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|N<4>,3|C<4>,4|C<3>}	N[4,6](Ga[4,6]N[4,6,6]N[6]C)(Ga[4,6,6]N[4,6,6]2C)(C[6]C[6a]N[6]){3|Ga<4>,7|C<3>}	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|H<1>,6|C<3>}	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1
762	74	856	6:SP2_SP2_SP3	C[6]	N[4,6]	N[6]	3:3:1:	4:3:3:	3:3:4:	N[4,6]-3:N[6]-3:O-1:	C[4,6]-4:C[4]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[4,6]C[4,6]C[4])(N[6]C[6,6a]C)(O)	N[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]C)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH)	C[6](N[4,6]C[4,6]C[4])(N[6]C[6,6a]C)(O){2|C<4>,3|C<3>}	N[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]C)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1
762	74	863	0:SP2_SP2_SP2	C[6]	N[4,6]	O	3:4:1:	3:3:3:	3:	N[4,6]-3:C[6]-4:O-1:	C[4,6]-3:P[4]-3:C[6]-3:	C[6]-3:	C[6](N[4,6]C[4,6]P[4])(C[6]C[6]CC)(O)	N[4,6](C[4,6]C[4]N[6])(P[4]C[6a]C[4])(C[6]C[6]O)	O(C[6]N[4,6]C[6])	C[6](N[4,6]C[4,6]P[4])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	N[4,6](C[4,6]C[4]N[6])(P[4]C[6a]C[4])(C[6]C[6]O){3|C<4>,4|C<3>}	O(C[6]N[4,6]C[6])	122.6315	0.499	2	122.6315	0.249	2	122.6315	0.249	2	122.6315	0.249	2	122.6315	0.249	2	122.6315	0.249	2
762	74	863	0:SP2_SP2_SP3	C[6]	N[4,6]	O	3:3:1:	4:3:3:	3:	N[4,6]-3:N[6]-3:O-1:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:	C[6](N[4,6]C[4,6]C[4])(N[6]C[6,6a]C)(O)	N[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]C)(C[6]N[6]O)	O(C[6]N[4,6]N[6])	C[6](N[4,6]C[4,6]C[4])(N[6]C[6,6a]C)(O){2|C<4>,3|C<3>}	N[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]C)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[4,6]N[6])	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1
762	74	914	6:SP2_SP2_SP2	C[6]	N[4,6]	N[6]	3:2:3:	5:5:3:	3:3:	N[4,6]-3:N[6]-2:N-3:	Si[4,6]-5:Si[4,6]-5:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[4,6]Si[4,6]2)(N[6]C[6])(NCC)	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N)	N[6](C[6]N[4,6]N)(C[6]N[6]N)	C[6](N[4,6]Si[4,6]2)(N[6]C[6])(NCC){4|F<1>,4|N<3>}	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N){5|C<3>}	N[6](C[6]N[4,6]N)(C[6]N[6]N){2|Si<5>,1|C<3>}	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1
762	74	930	0:SP2_SP2_SP2	C[6]	N[4,6]	C	3:3:3:	4:3:3:	3:1:1:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(O)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>}	C(C[6]N[4,6]C[6])(O)2	114.9390	0.880	3	114.9390	0.774	3	114.9390	0.774	3	114.9390	0.774	3	113.7350	3.216	5	113.7350	3.216	5
762	74	930	0:SP2_SP2_SP2	C[6]	N[4,6]	C	3:3:3:	4:3:3:	3:2:1:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(OH)(O)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]N[4,6]C[6])(OH)(O)	112.4010	0.000	1	111.9290	0.446	2	111.9290	0.446	2	111.9290	0.446	2	113.7350	3.216	5	113.7350	3.216	5
762	74	930	0:SP2_SP2_SP2	C[6]	N[4,6]	C	3:3:3:	4:3:3:	3:2:1:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(OH)(O)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>}	C(C[6]N[4,6]C[6])(OH)(O)	111.4570	0.000	1	111.9290	0.446	2	111.9290	0.446	2	111.9290	0.446	2	113.7350	3.216	5	113.7350	3.216	5
762	74	930	0:SP2_SP2_SP3	C[6]	N[4,6]	C	3:3:3:	4:3:3:	3:1:1:	N[4,6]-3:C[6]-3:C-3:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C)	C(C[6]N[4,6]C[6])(O)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[4,6](C[4,6]C[4]S[6]H)(C[4]C[4]O)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>}	C(C[6]N[4,6]C[6])(O)2	115.6740	1.020	4	115.6740	1.040	4	115.6740	1.040	4	115.6740	1.040	4	115.6740	1.040	4	115.6740	1.040	4
762	74	951	0:SP2_SP-NON_SP2	C[6]	N[4,6]	H	3:3:1:	3:4:3:	3:	N[4,6]-3:C[6]-3:H-1:	C[4,6]-3:Si[4]-4:C[6]-3:	C[6]-3:	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H)	N[4,6](C[4,6]Si[4]C[6])(Si[4]Si[4]SiH)(C[6]C[6]H)	H(C[6]N[4,6]C[6])	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H){1|Si<3>,1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	N[4,6](C[4,6]Si[4]C[6])(Si[4]Si[4]SiH)(C[6]C[6]H){1|Si<4>,1|C<3>,2|H<1>}	H(C[6]N[4,6]C[6])	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	119.4013	0.783	9	119.4013	0.783	9
762	74	951	0:SP2_SP-NON_SP2	C[6]	N[4,6]	H	3:3:1:	5:3:3:	3:	N[4,6]-3:C[6]-3:H-1:	Si[4,4]-5:C[4,6]-3:C[6]-3:	C[6]-3:	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H)	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H)	H(C[6]N[4,6]C[6])	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]N[4,6]C[6])	120.0290	0.000	1	120.0290	0.000	1	120.0290	0.000	1	119.9847	0.013	4	119.4013	0.783	9	119.4013	0.783	9
762	74	951	0:SP2_SP-NON_SP2	C[6]	N[4,6]	H	3:3:1:	5:3:3:	3:	N[4,6]-3:C[6]-3:H-1:	Si[4]-5:C[4,6]-3:C[6]-3:	C[6]-3:	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	H(C[6]N[4,6]C[6])	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]N[4,6]C[6])	119.9700	0.137	3	119.9700	0.019	3	119.9700	0.019	3	119.9847	0.013	4	119.4013	0.783	9	119.4013	0.783	9
762	74	951	0:SP2_SP-NON_SP2	C[6]	N[4,6]	H	3:3:1:	6:3:3:	3:	N[4,6]-3:C[6]-3:H-1:	Si[4,4]-6:C[4,6]-3:C[6]-3:	C[6]-3:	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H)	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H)	H(C[6]N[4,6]C[6])	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|S<2>}	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[4,6]C[6])	119.8415	0.163	2	119.8415	0.027	2	119.8415	0.027	2	119.8415	0.027	2	119.4013	0.783	9	119.4013	0.783	9
762	74	951	0:SP2_SP-NON_SP2	C[6]	N[4,6]	H	3:3:1:	7:2:3:	3:	N[4,6]-3:C[6,6a]-3:H-1:	Nb[3,4,4,6]-7:O[4]-2:C[6]-3:	C[6]-3:	C[6](N[4,6]Nb[3,4,4,6]O[4])(C[6,6a]C[6,6a]C[6a])(H)	N[4,6](Nb[3,4,4,6]Nb[3,4,4,6]O[3]O[4]O[6]OO)(O[4]Nb[3,4,4,6])(C[6]C[6,6a]H)	H(C[6]C[6,6a]N[4,6])	C[6](N[4,6]Nb[3,4,4,6]O[4])(C[6,6a]C[6,6a]C[6a])(H){1|Nb<7>,1|H<1>,2|C<3>,5|O<2>}	N[4,6](Nb[3,4,4,6]Nb[3,4,4,6]O[3]O[4]O[6]OO)(O[4]Nb[3,4,4,6])(C[6]C[6,6a]H){1|N<3>,2|C<3>,3|O<2>}	H(C[6]C[6,6a]N[4,6])	117.9210	0.042	2	117.9210	0.002	2	117.9210	0.002	2	117.9210	0.002	2	119.4013	0.783	9	119.4013	0.783	9
762	74	951	0:SP2_SP-NON_SP3	C[6]	N[4,6]	H	3:3:1:	4:3:3:	3:	N[4,6]-3:C[6]-3:H-1:	C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:	C[6](N[4,6]C[4,6]C[4])(C[6]N[6]H)(H)	N[4,6](C[4,6]C[6a]C[4]C[6])(C[4]C[4]O)(C[6]C[6]H)	H(C[6]N[4,6]C[6])	C[6](N[4,6]C[4,6]C[4])(C[6]N[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[4,6](C[4,6]C[6a]C[4]C[6])(C[4]C[4]O)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]N[4,6]C[6])	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1
762	74	956	0:SP2_SP2_SP2	C[6]	N[4,6]	N	3:2:3:	5:5:3:	3:4:4:	N[4,6]-3:N[6]-2:N-3:	Si[4,6]-5:Si[4,6]-5:C[6]-3:	C[6]-3:C-4:C-4:	C[6](N[4,6]Si[4,6]2)(N[6]C[6])(NCC)	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N)	N(C[6]N[4,6]N[6])(CH3)2	C[6](N[4,6]Si[4,6]2)(N[6]C[6])(NCC){4|F<1>,4|N<3>}	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N){5|C<3>}	N(C[6]N[4,6]N[6])(CH3)2	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	118.9655	3.103	4	118.9655	3.103	4
762	74	956	0:SP2_SP2_SP2	C[6]	N[4,6]	N	3:3:3:	3:4:3:	4:3:4:	N[4,6]-3:C[6]-3:N-3:	C[4,6]-3:B[4]-4:C[6]-3:	B[4]-4:C[6]-3:Si-4:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si)	N[4,6](C[4,6]C[6]N[4])(B[4]N[4]ClN)(C[6]C[6]N)	N(B[4]N[4,6]N[4]Cl)(C[6]N[4,6]C[6])(SiC3)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	N[4,6](C[4,6]C[6]N[4])(B[4]N[4]ClN)(C[6]C[6]N){1|Si<4>,1|C<3>,2|H<1>}	N(B[4]N[4,6]N[4]Cl)(C[6]N[4,6]C[6])(SiC3)	118.0880	0.185	3	118.0880	0.034	3	118.0880	0.034	3	118.0880	0.034	3	118.9655	3.103	4	118.9655	3.103	4
762	106	643	0:SP2_SP2_SP2	C[6]	Si[6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:Si[6]-3:C[6]-3:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(Si[6]C[6]Si)(C[6]Si[6]H)	Si[6](C[6]C[6a]C[6])(C[6]C[6]H)(SiC3)	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(Si[6]C[6]Si)(C[6]Si[6]H){1|Si<4>,3|C<3>,3|H<1>}	Si[6](C[6]C[6a]C[6])(C[6]C[6]H)(SiC3){1|Si<3>,1|H<1>,3|C<3>}	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2{1|Si<3>,1|Si<4>,2|C<3>,3|H<1>}	127.7670	1.479	4	127.7670	2.188	4	127.7670	2.188	4	127.7670	2.188	4	127.7670	2.188	4	127.7670	2.188	4
762	106	643	6:SP2_SP2_SP2	C[6]	Si[6]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:Si[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a])(H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]Si[6]H){2|H<1>,4|C<3>}	121.0870	0.024	2	121.0870	0.001	2	121.0870	0.001	2	121.0870	0.001	2	121.0870	0.001	2	121.0870	0.001	2
762	106	762	6:SP2_SP2_SP2	C[6]	Si[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:Si[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6a]-3:Si[6]-3:C[6]-3:	C[6](C[6]C[6a]Si[6])(Si[6]C[6]Si)(H)	Si[6](C[6]C[6a]C[6])(C[6]C[6]H)(SiC3)	C[6](C[6a]C[6a]2)(Si[6]C[6]Si)(C[6]Si[6]H)	C[6](C[6]C[6a]Si[6])(Si[6]C[6]Si)(H){1|Si<4>,4|C<3>}	Si[6](C[6]C[6a]C[6])(C[6]C[6]H)(SiC3){1|Si<3>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(Si[6]C[6]Si)(C[6]Si[6]H){1|Si<4>,3|C<3>,3|H<1>}	120.1725	0.359	4	120.1725	0.129	4	120.1725	0.129	4	124.5163	45.363	6	119.5668	66.066	10	119.5668	66.066	10
762	106	762	6:SP2_SP2_SP2	C[6]	Si[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:Si[6]-3:H-1:	Si[6]-3:C[6]-3:Si-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(Si[6]Si[6]Si)(H)	Si[6](Si[6]C[6]Si)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6](C[6]C[6a]C[6])(Si[6]Si[6]Si)(H){1|Si<4>,4|C<3>}	Si[6](Si[6]C[6]Si)(C[6]C[6]H)(SiC3){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]Si[6]H){1|Si<3>,1|Si<4>,3|H<1>,4|C<3>}	133.2040	0.023	2	133.2040	0.001	2	133.2040	0.001	2	124.5163	45.363	6	119.5668	66.066	10	119.5668	66.066	10
762	106	762	6:SP2_SP2_SP2	C[6]	Si[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:Si[6]-3:C[6]-3:	C[6]-3:C[6]-3:Si-4:	C[6]-3:Si[6]-3:H-1:	C[6](C[6a]C[6a]2)(Si[6]C[6]Si)(C[6]Si[6]H)	Si[6](C[6]C[6a]C[6])(C[6]C[6]H)(SiC3)	C[6](C[6]C[6a]Si[6])(Si[6]C[6]Si)(H)	C[6](C[6a]C[6a]2)(Si[6]C[6]Si)(C[6]Si[6]H){1|Si<4>,3|C<3>,3|H<1>}	Si[6](C[6]C[6a]C[6])(C[6]C[6]H)(SiC3){1|Si<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]Si[6])(Si[6]C[6]Si)(H){1|Si<4>,4|C<3>}	112.1425	0.325	4	112.1425	0.106	4	112.1425	0.106	4	112.1425	0.106	4	119.5668	66.066	10	119.5668	66.066	10
762	106	951	0:SP2_SP-NON_SP2	C[6]	Si[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:Si[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a])(H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]Si[6])	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6,6a]Si[6])	119.4200	0.045	2	119.4200	0.002	2	119.4200	0.002	2	119.4200	0.002	2	118.1718	8.719	8	118.1718	8.719	8
762	106	951	0:SP2_SP-NON_SP2	C[6]	Si[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:Si[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:	C[6](C[6]C[6a]Si[6])(Si[6]C[6]Si)(H)	Si[6](C[6]C[6a]C[6])(C[6]C[6]H)(SiC3)	H(C[6]Si[6]C[6])	C[6](C[6]C[6a]Si[6])(Si[6]C[6]Si)(H){1|Si<4>,4|C<3>}	Si[6](C[6]C[6a]C[6])(C[6]C[6]H)(SiC3){1|Si<3>,1|H<1>,3|C<3>}	H(C[6]Si[6]C[6])	119.9300	0.210	4	119.9300	0.044	4	119.9300	0.044	4	117.7557	11.375	6	118.1718	8.719	8	118.1718	8.719	8
762	106	951	0:SP2_SP-NON_SP2	C[6]	Si[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:Si[6]-3:H-1:	Si[6]-3:C[6]-3:Si-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(Si[6]Si[6]Si)(H)	Si[6](Si[6]C[6]Si)(C[6]C[6]H)(SiC3)	H(C[6]Si[6]C[6])	C[6](C[6]C[6a]C[6])(Si[6]Si[6]Si)(H){1|Si<4>,4|C<3>}	Si[6](Si[6]C[6]Si)(C[6]C[6]H)(SiC3){1|H<1>,2|C<3>}	H(C[6]Si[6]C[6])	113.4070	0.106	2	113.4070	0.011	2	113.4070	0.011	2	117.7557	11.375	6	118.1718	8.719	8	118.1718	8.719	8
762	138	466	6:SP2_SP2_SP3	C[6]	N[3,6]	C[6]	3:4:1:	4:4:3:	3:3:4:1:	N[3,6]-3:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O){2|C<4>,3|H<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	112.7860	0.000	1	112.7860	0.000	1	112.7860	0.000	1	113.8655	2.331	2	113.8655	2.331	2	113.8655	2.331	2
762	138	466	6:SP2_SP2_SP3	C[6]	N[3,6]	C[6]	3:4:1:	4:4:3:	3:3:4:1:	N[3,6]-3:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:H-1:	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,3|H<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	113.8655	2.331	2	113.8655	2.331	2	113.8655	2.331	2
762	138	474	6:SP2_SP2_SP3	C[6]	N[3,6]	C[5,6]	4:3:1:	4:4:3:	3:3:4:1:	C[5,6]-4:N[3,6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O){4|C<4>,4|H<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	113.4470	0.000	1	113.4470	0.000	1	113.4470	0.000	1	113.4470	0.000	1	113.4470	0.000	1	113.4470	0.000	1
762	138	474	6:SP2_SP3_SP3	C[6]	N[3,6]	C[5,6]	4:3:1:	4:4:3:	3:3:4:1:	C[5,6]-4:N[3,6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O){4|C<4>,4|H<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1
762	138	622	6:SP2_SP2_SP2	C[6]	N[3,6]	O[6]	3:2:1:	4:4:3:	3:4:	N[3,6]-3:O[6]-2:O-1:	C[3,3]-4:C[3,6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](N[3,6]C[3,3]C[3,6])(O[6]C[6])(O)	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O)	O[6](C[6]N[3,6]O)(C[6]C[6]HH)	C[6](N[3,6]C[3,3]C[3,6])(O[6]C[6])(O){1|N<3>,2|C<4>,3|H<1>}	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O){1|H<1>,1|N<3>,4|C<4>}	O[6](C[6]N[3,6]O)(C[6]C[6]HH){4|C<4>}	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1
762	138	622	6:SP2_SP2_SP3	C[6]	N[3,6]	O[6]	3:2:1:	4:4:3:	3:4:	N[3,6]-3:O[6]-2:O-1:	C[3,3x6]-4:C[3,6,6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](N[3,6]C[3,3x6]C[3,6,6])(O[6]C[6])(O)	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O)	O[6](C[6]N[3,6]O)(C[6]C[6]HH)	C[6](N[3,6]C[3,3x6]C[3,6,6])(O[6]C[6])(O){3|C<4>,3|H<1>}	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O){4|C<4>,5|H<1>}	O[6](C[6]N[3,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>}	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1
762	138	762	6:SP2_SP2_SP3	C[6]	N[3,6]	C[6]	3:3:1:	4:4:3:	3:3:3:	N[3,6]-3:C[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](N[3,6]C[3,6]C[3])(C[6]C[6a]C[6])(O)	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O)	C[6](C[6]C[6a]O[6])(C[6]N[3,6]O)(C[6a]C[6a]2)	C[6](N[3,6]C[3,6]C[3])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O){4|C<3>}	C[6](C[6]C[6a]O[6])(C[6]N[3,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1
762	138	863	0:SP2_SP2_SP2	C[6]	N[3,6]	O	3:2:1:	4:4:3:	3:	N[3,6]-3:O[6]-2:O-1:	C[3,3]-4:C[3,6]-4:C[6]-3:	C[6]-3:	C[6](N[3,6]C[3,3]C[3,6])(O[6]C[6])(O)	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O)	O(C[6]N[3,6]O[6])	C[6](N[3,6]C[3,3]C[3,6])(O[6]C[6])(O){1|N<3>,2|C<4>,3|H<1>}	N[3,6](C[3,3]C[3,6]C[3]N[3])(C[3,6]C[3,3]C[6]H)(C[6]O[6]O){1|H<1>,1|N<3>,4|C<4>}	O(C[6]N[3,6]O[6])	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	122.3837	0.462	4	122.3837	0.462	4
762	138	863	0:SP2_SP2_SP2	C[6]	N[3,6]	O	3:4:1:	4:4:3:	3:	N[3,6]-3:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	O(C[6]N[3,6]C[6])	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,3|H<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]N[3,6]C[6])	122.4510	0.000	1	122.7155	0.140	2	122.7155	0.140	2	122.7155	0.140	2	122.3837	0.462	4	122.3837	0.462	4
762	138	863	0:SP2_SP2_SP2	C[6]	N[3,6]	O	3:4:1:	4:4:3:	3:	N[3,6]-3:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)	O(C[6]N[3,6]C[6])	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O){2|C<4>,3|H<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]N[3,6]C[6])	122.9800	0.000	1	122.7155	0.140	2	122.7155	0.140	2	122.7155	0.140	2	122.3837	0.462	4	122.3837	0.462	4
762	138	863	0:SP2_SP2_SP2	C[6]	N[3,6]	O	4:3:1:	4:4:3:	3:	C[5,6]-4:N[3,6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	O(C[6]C[5,6]N[3,6])	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O){4|C<4>,4|H<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[5,6]N[3,6])	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	122.3837	0.462	4	122.3837	0.462	4
762	138	863	0:SP2_SP2_SP3	C[6]	N[3,6]	O	3:2:1:	4:4:3:	3:	N[3,6]-3:O[6]-2:O-1:	C[3,3x6]-4:C[3,6,6]-4:C[6]-3:	C[6]-3:	C[6](N[3,6]C[3,3x6]C[3,6,6])(O[6]C[6])(O)	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O)	O(C[6]N[3,6]O[6])	C[6](N[3,6]C[3,3x6]C[3,6,6])(O[6]C[6])(O){3|C<4>,3|H<1>}	N[3,6](C[3,3x6]C[3,6,6]C[4,6,6]C[6])(C[3,6,6]C[3,3x6]C[6,6]H)(C[6]O[6]O){4|C<4>,5|H<1>}	O(C[6]N[3,6]O[6])	123.9230	0.000	1	123.9230	0.000	1	123.9230	0.000	1	123.9230	0.000	1	122.0640	2.704	3	122.0640	2.704	3
762	138	863	0:SP2_SP2_SP3	C[6]	N[3,6]	O	3:3:1:	4:4:3:	3:	N[3,6]-3:C[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](N[3,6]C[3,6]C[3])(C[6]C[6a]C[6])(O)	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O)	O(C[6]N[3,6]C[6])	C[6](N[3,6]C[3,6]C[3])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[3,6](C[3,6]C[6a]C[3]O[6])(C[3]C[3,6]CH)(C[6]C[6]O){4|C<3>}	O(C[6]N[3,6]C[6])	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	122.0640	2.704	3	122.0640	2.704	3
762	138	863	0:SP2_SP2_SP3	C[6]	N[3,6]	O	4:3:1:	4:4:3:	3:	C[5,6]-4:N[3,6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O)	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O)	O(C[6]C[5,6]N[3,6])	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O){4|C<4>,4|H<1>}	N[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[5,6]N[3,6])	121.4690	0.000	1	121.4690	0.000	1	121.4690	0.000	1	121.4690	0.000	1	122.0640	2.704	3	122.0640	2.704	3
762	194	762	6:SP2_SP2_SP3	C[6]	O[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:O[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6]P)(H)	O[6](C[6]C[6]H)2(PRuOO)	C[6](C[6]C[6]H)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6]P)(H){1|C<3>,2|H<1>}	O[6](C[6]C[6]H)2(PRuOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	119.3450	1.032	2	119.3450	1.066	2	119.3450	1.066	2	119.3450	1.066	2	119.3450	1.066	2	119.3450	1.066	2
762	194	951	0:SP2_SP-NON_SP3	C[6]	O[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:O[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6]P)(H)	O[6](C[6]C[6]H)2(PRuOO)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6]P)(H){1|C<3>,2|H<1>}	O[6](C[6]C[6]H)2(PRuOO){1|C<3>,2|H<1>}	H(C[6]C[6]O[6])	120.3400	0.508	2	120.3400	0.258	2	120.3400	0.258	2	120.3400	0.258	2	120.3400	0.258	2	120.3400	0.258	2
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2{1|Cd<6>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|C<2>,1|N<3>,2|C<3>}	124.7190	0.000	1	124.7190	0.000	1	122.7396	3.665	10	122.7396	3.665	10	122.4960	4.167	12	122.4960	4.167	12
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,1|P<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	122.5380	0.000	1	122.0714	6.203	5	122.7396	3.665	10	122.7396	3.665	10	122.4960	4.167	12	122.4960	4.167	12
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|Pd<4>,1|C<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	120.4650	0.000	1	122.0714	6.203	5	122.7396	3.665	10	122.7396	3.665	10	122.4960	4.167	12	122.4960	4.167	12
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){3|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){3|C<2>}	124.3025	1.010	2	122.0714	6.203	5	122.7396	3.665	10	122.7396	3.665	10	122.4960	4.167	12	122.4960	4.167	12
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{3|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	118.7490	0.000	1	122.0714	6.203	5	122.7396	3.665	10	122.7396	3.665	10	122.4960	4.167	12	122.4960	4.167	12
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|N<2>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	122.9447	0.818	3	123.0800	0.519	4	122.7396	3.665	10	122.7396	3.665	10	122.4960	4.167	12	122.4960	4.167	12
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|Pd<4>,1|N<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	123.4860	0.000	1	123.0800	0.519	4	122.7396	3.665	10	122.7396	3.665	10	122.4960	4.167	12	122.4960	4.167	12
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:2:	3:3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,2|C<2>}	119.1220	0.000	1	119.1220	0.000	1	119.1220	0.000	1	119.1220	0.000	1	122.4960	4.167	12	122.4960	4.167	12
762	206	206	0:SP2_SP1_SP1	C[6,6]	C[6]	C[6]	3:2:2:	3:3:	3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2{1|C<2>,1|C<3>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]){1|C<3>,1|S<4>,4|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|S<4>}	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	122.4960	4.167	12	122.4960	4.167	12
762	206	206	6:SP2_SP1_SP1	C[3x6]	C[6,6]	C[6,6]	2:2:2:	3:3:	3:3:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[3x6]-3:C[3x6]-3:	C[3x6]-3:C[3x6]-3:	C[3x6](C[6,6]C[3x6])3	C[6,6](C[3x6]C[6,6]2)2	C[6,6](C[3x6]C[6,6]2)2	C[3x6](C[6,6]C[3x6])3{1|C<4>,1|P<4>,2|C<2>}	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>}	109.8725	0.801	2	109.8725	0.642	2	109.8725	0.642	2	109.8725	0.642	2	109.7824	0.259	7	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[3x6]	C[6,6]	C[6,6]	2:2:2:	4:3:	3:3:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[3x6]-4:C[3x6]-3:	C[3x6]-3:C[3x6]-3:	C[3x6](C[6,6]C[3x6])3	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)	C[6,6](C[3x6]C[6,6]2)2	C[3x6](C[6,6]C[3x6])3{1|C<4>,1|P<4>,2|C<2>}	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2){2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>,2|H<1>}	109.3440	0.082	2	109.5927	0.139	4	109.5927	0.139	4	109.5927	0.139	4	109.7824	0.259	7	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[3x6]	C[6,6]	C[6,6]	2:2:2:	4:3:	3:3:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[3x6]-4:C[3x6]-3:	C[3x6]-3:C[3x6]-3:	C[3x6](C[6,6]C[3x6])3	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)	C[6,6](C[3x6]C[6,6]2)2	C[3x6](C[6,6]C[3x6])3{1|C<4>,1|P<4>,2|C<2>}	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2){2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>}	109.8415	0.405	2	109.5927	0.139	4	109.5927	0.139	4	109.5927	0.139	4	109.7824	0.259	7	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[3x6]	C[6,6]	C[6,6]	4:2:2:	3:3:	3:3:	C[6,6]-4:C[6,6]-2:C[6,6]-2:	C[3x6]-3:C[3x6]-3:	C[3x6]-3:C[3x6]-3:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2	C[6,6](C[3x6]C[6,6]2)2	C[6,6](C[3x6]C[6,6]2)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2{1|P<4>,3|C<2>}	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>,2|H<1>}	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	109.7824	0.259	7	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6])2(Br){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<3>}	123.8450	2.612	2	122.4485	4.937	4	122.4485	4.937	4	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6])2(Br){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|N<2>}	121.3570	0.000	1	122.4485	4.937	4	122.4485	4.937	4	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6])2(Br){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]){2|C<2>}	120.7470	0.000	1	122.4485	4.937	4	122.4485	4.937	4	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(C){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	119.2280	3.788	5	118.8720	3.855	18	118.8720	3.855	18	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<1>,1|C<2>}	119.5320	0.000	1	118.8720	3.855	18	118.8720	3.855	18	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|S<4>}	118.6687	0.774	12	118.8720	3.855	18	118.8720	3.855	18	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6])2(Cl){1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	122.7865	0.028	2	121.8932	1.432	4	121.8932	1.432	4	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6])2(Cl){1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|N<2>}	120.2570	0.000	1	121.8932	1.432	4	121.8932	1.432	4	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6])2(Cl){1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){2|C<2>}	121.7430	0.000	1	121.8932	1.432	4	121.8932	1.432	4	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:D-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(D)	C[6](C[6]C[6]D)(C[6]C[6])	C[6](C[6]C[6]D)(C[6]C[6])	C[6](C[6]C[6])2(D){1|C<3>}	C[6](C[6]C[6]D)(C[6]C[6]){1|C<2>,1|D<1>}	C[6](C[6]C[6]D)(C[6]C[6]){1|C<2>,1|D<1>}	119.8100	0.253	2	119.8100	0.064	2	119.8100	0.064	2	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6])2(F){1|C<2>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>}	121.2810	0.000	1	123.3538	1.925	5	123.3538	1.925	5	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6])2(F){1|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]){1|Au<2>,1|C<2>}	C[6](C[6]C[6]F)(C[6]C[6]){1|Au<2>,1|C<2>}	122.8300	0.000	1	123.3538	1.925	5	123.3538	1.925	5	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6])2(F){1|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]){1|Au<4>,1|C<2>}	C[6](C[6]C[6]F)(C[6]C[6]){1|Au<4>,1|C<2>}	123.4560	0.000	1	123.3538	1.925	5	123.3538	1.925	5	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6])2(F){1|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>,1|C<3>}	124.6010	0.086	2	123.3538	1.925	5	123.3538	1.925	5	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6](C[6]C[6])(C[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6])(C[6]N[6])(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|H<1>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:2:	C[6]-2:C[6]-2:I-1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6](C[6]C[6])(C[6]N[6])(I)	C[6](C[6]C[6]I)(C[6]C[6])	C[6](C[6]C[6]I)(N[6]C[6])	C[6](C[6]C[6])(C[6]N[6])(I){1|C<2>}	C[6](C[6]C[6]I)(C[6]C[6]){1|N<2>}	C[6](C[6]C[6]I)(N[6]C[6]){1|C<2>}	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	120.4054	6.176	35	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:3:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]F)2	C[6](C[6]C[6])2(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]F)2{1|C<2>,1|C<4>}	123.0100	0.000	1	123.0100	0.000	1	123.0100	0.000	1	119.8337	5.015	4	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>}	119.5700	0.000	1	118.7750	0.797	3	118.7750	0.797	3	119.8337	5.015	4	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|Se<3>,1|C<3>}	C[6](C[6]C[6]H)2{1|Se<3>,1|C<2>}	117.8090	0.000	1	118.7750	0.797	3	118.7750	0.797	3	119.8337	5.015	4	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:2:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){2|C<3>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>}	118.9460	0.000	1	118.7750	0.797	3	118.7750	0.797	3	119.8337	5.015	4	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	2:3:	C[6]-2:C[6]-2:H-1:	C[5,6]-3:C[6]-3:	N[6]-2:C[6]-3:	C[6](C[6]C[5,6])(C[6]N[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]N[6])(H){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){2|C<3>,2|N<2>}	C[6](N[6]C[5,6])(C[6]C[6]H){2|C<3>}	120.1230	0.000	1	120.1230	0.000	1	120.1230	0.000	1	120.7455	0.775	2	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	2:3:	C[6]-2:C[6]-2:H-1:	C[5a,6]-3:C[6]-3:	C[6]-2:C[6]-3:	C[6](C[6]C[5a,6])(C[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6])(C[6]C[6]H)	C[6](C[6]C[5a,6])(C[6]C[6])(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a,6])(C[6]C[6]H){1|C<3>,1|N<2>}	121.3680	0.000	1	121.3680	0.000	1	121.3680	0.000	1	120.7455	0.775	2	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:2:	C[6]-2:C[6]-2:Br-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-2:	C[6](C[6]C[5,6])(C[6]C[6])(Br)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]Br)	C[6](C[6]C[6]Br)(C[6]C[5,6])	C[6](C[6]C[5,6])(C[6]C[6])(Br){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]Br){1|C<2>,1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[5,6]){1|C<3>,1|N<3>}	121.7300	0.000	1	121.7300	0.000	1	121.7300	0.000	1	120.5754	0.729	5	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:2:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(C){1|C<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<2>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<4>}	119.9810	0.075	2	119.9810	0.006	2	119.9650	0.004	3	120.5754	0.729	5	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:2:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(C){1|C<3>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]S){1|C<2>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<3>}	119.9330	0.000	1	119.9330	0.000	1	119.9650	0.004	3	120.5754	0.729	5	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:2:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])2(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	120.5754	0.729	5	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6])2(Br){1|C<3>,2|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|O<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|O<3>}	120.7400	0.181	3	120.7400	0.033	3	120.7400	0.033	3	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](C[6]C[6])2(C){1|C<3>,2|C<1>}	C[6](C[6]C[6]C)2{1|Si<3>,1|C<3>}	C[6](C[6]C[6]C)2{1|Si<3>,1|C<3>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6])2(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|P<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|P<4>}	120.2230	0.000	1	120.2230	0.000	1	120.2230	0.000	1	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:D-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(C[6]N[6])(D)	C[6](N[6]C[6]Pd)(C[6]C[6]D)	C[6](C[6]C[6]D)2	C[6](C[6]C[6])(C[6]N[6])(D){1|Pd<4>,1|C<3>,1|D<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]D){1|C<3>,1|D<1>}	C[6](C[6]C[6]D)2{1|D<1>,1|N<3>}	117.6190	0.000	1	117.6190	0.000	1	117.6190	0.000	1	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:F-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6])(F)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]F)	C[6](C[6]C[5,6]F)(C[6]C[6]F)	C[6](C[6]C[5,6])(C[6]C[6])(F){1|C<3>,1|F<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]F){1|Ir<6>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]F)(C[6]C[6]F){1|C<3>,1|S<2>}	127.1070	0.000	1	127.1070	0.000	1	127.1070	0.000	1	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]I)(C[6]C[6]H)	C[6](C[6]C[6,6])(C[6]C[6])(H){1|I<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]I)(C[6]C[6]H){2|C<3>}	120.6140	0.000	1	120.6140	0.000	1	120.6140	0.000	1	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6])(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6a])(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>}	118.6610	0.000	1	118.6610	0.000	1	118.6610	0.000	1	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6])2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	119.4340	0.000	1	119.4340	0.000	1	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|N<3>}	119.0510	0.000	1	119.0510	0.000	1	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	119.9150	0.000	1	119.9150	0.000	1	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	120.4210	0.660	2	120.4210	0.436	2	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<2>}	120.8130	0.000	1	120.8130	0.000	1	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Pd<4>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>}	118.7820	0.000	1	118.7820	0.000	1	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6]H)(C[6]N[6]S)	C[6](C[6]C[6])2(H){1|N<3>,2|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S){1|Rh<6>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]S){1|Rh<6>,1|C<3>}	118.3860	0.000	1	118.3860	0.000	1	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>}	119.6245	0.136	2	119.4524	0.181	8	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|P<4>}	119.2140	0.000	1	119.4524	0.181	8	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<4>}	120.2020	0.000	1	119.4524	0.181	8	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>}	119.2750	0.000	1	119.4524	0.181	8	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{2|C<3>}	C[6](C[6]C[6]H)2{2|C<3>}	119.2263	0.439	3	119.4524	0.181	8	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6])2(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	118.9860	0.000	1	118.9860	0.000	1	119.5193	0.471	17	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:1:	3:3:	3:3:	C[6]-2:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]O)2	C[6](C[6]C[6])2(O){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O){2|C<3>}	C[6](C[6]C[6]O)2{2|C<3>}	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	119.5648	6.354	27	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:Br-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(BrC)	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6])2(BrC){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<4>}	124.4700	1.338	2	124.4700	1.790	2	124.4700	1.790	2	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CC){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	119.6715	1.020	2	118.5528	2.763	4	120.1663	2.586	19	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CC){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	116.3750	0.000	1	118.5528	2.763	4	120.1663	2.586	19	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CC){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	118.4930	0.000	1	118.5528	2.763	4	120.1663	2.586	19	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	120.2575	2.000	4	120.8900	2.191	8	120.1663	2.586	19	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CN){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	121.5225	0.211	4	120.8900	2.191	8	120.1663	2.586	19	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CO){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	120.7765	1.371	4	120.4924	1.813	5	120.1663	2.586	19	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Cl<1>,1|C<2>}	119.3560	0.000	1	120.4924	1.813	5	120.1663	2.586	19	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CS)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CS){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	119.6835	0.274	2	119.6835	0.075	2	120.1663	2.586	19	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Br<1>,1|C<2>}	120.5410	0.000	1	119.5853	0.777	3	120.2967	5.243	6	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	118.8040	0.000	1	119.5853	0.777	3	120.2967	5.243	6	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Cl<1>,1|C<2>}	119.4110	0.000	1	119.5853	0.777	3	120.2967	5.243	6	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NN)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NN){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	124.6780	0.000	1	124.6780	0.000	1	120.2967	5.243	6	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NRe)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NRe){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	120.0160	0.000	1	120.0160	0.000	1	120.2967	5.243	6	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NRu)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NRu){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	118.3300	0.000	1	118.3300	0.000	1	120.2967	5.243	6	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<4>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<4>}	119.4935	0.269	2	119.8196	0.849	11	119.8196	0.849	11	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<2>}	119.8075	0.837	2	119.8196	0.849	11	119.8196	0.849	11	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<3>}	119.6580	0.217	3	119.8196	0.849	11	119.8196	0.849	11	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|P<4>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|P<4>}	120.1250	1.870	3	119.8196	0.849	11	119.8196	0.849	11	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	120.0650	0.000	1	119.8196	0.849	11	119.8196	0.849	11	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:S-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SNi)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2(SNi){1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>}	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:Si-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SiRu)	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6])2(SiRu){1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	115.5975	1.324	2	115.5975	1.754	2	115.5975	1.754	2	120.0847	4.120	41	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:3:	2:3:	C[6]-2:C[6]-2:O-2:	C[6,6]-3:C[6]-3:	C[6]-2:C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6])(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6])(C[6]C[6]O)	C[6](C[6]C[6,6])(C[6]C[6])(OC){1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]O){2|C<3>}	120.4340	0.000	1	120.4340	0.000	1	120.4340	0.000	1	120.4340	0.000	1	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:3:	3:2:	C[6]-2:C[6]-2:S-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SRe)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2(SRe){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<2>,1|C<4>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<3>,1|C<4>}	118.1450	0.000	1	118.1450	0.000	1	118.1450	0.000	1	118.1450	0.000	1	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:2:	3:3:	3:3:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]O[6]C)	C[6](C[6]C[6]C)(C[6]O[6]C)	C[6](C[6]C[6])2(CC){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C){1|C<3>}	C[6](C[6]C[6]C)(C[6]O[6]C){1|C<3>}	117.4500	0.000	1	117.4500	0.000	1	117.4500	0.000	1	117.4500	0.000	1	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CBrC)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CBrC){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|F<1>}	120.5000	0.833	2	120.5000	0.694	2	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CCC){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	118.5175	0.281	2	118.5175	0.079	2	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CCN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CCN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	118.6890	0.000	1	118.6890	0.000	1	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CCO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CCO){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	119.8320	0.000	1	119.8320	0.000	1	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CC[5]C)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CC[5]C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	117.8000	2.258	2	117.8000	5.101	2	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CC[6]C)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CC[6]C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	116.7837	1.123	4	116.7837	1.261	4	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CNN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CNN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	119.7930	0.000	1	119.7930	0.000	1	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(COO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	119.6745	0.336	2	119.8362	0.067	5	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(COO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	120.1380	0.000	1	119.8362	0.067	5	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(COO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Si<4>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Si<4>,1|C<2>}	119.8470	0.109	2	119.8362	0.067	5	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CZrC)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CZrC){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	117.2220	0.000	1	117.2220	0.000	1	118.7098	2.438	19	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NCC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NCC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	116.9747	0.791	3	116.9747	0.625	3	118.9109	3.210	15	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NCN)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NCN){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	117.4380	0.000	1	117.4380	0.000	1	118.9109	3.210	15	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NC[6]2)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NC[6]2){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	117.9915	0.043	2	118.4317	0.169	6	118.9109	3.210	15	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NC[6]2)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NC[6]2){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	118.6518	0.296	4	118.4317	0.169	6	118.9109	3.210	15	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NOO)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NOO){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	120.1447	0.415	3	120.9117	2.469	4	118.9109	3.210	15	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NOO)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NOO){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<3>}	123.2130	0.000	1	120.9117	2.469	4	118.9109	3.210	15	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NRhC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NRhC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	121.0640	0.000	1	121.0640	0.000	1	118.9109	3.210	15	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:P-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(PC[6]2)	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2(PC[6]2){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	118.4590	1.301	5	118.4590	1.692	5	118.4590	1.692	5	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:2:	3:2:	C[6]-2:C[6]-2:Se-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SeCd2)	C[6](C[6]C[6]Se)(C[6]C[6])	C[6](C[6]C[6]Se)(C[6]C[6])	C[6](C[6]C[6])2(SeCd2){1|C<2>}	C[6](C[6]C[6]Se)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]Se)(C[6]C[6]){1|C<2>}	122.1173	1.349	3	122.1173	1.821	3	122.1173	1.821	3	118.9952	3.209	42	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:3:	3:3:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6])2(CCH){1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>}	116.1210	0.322	2	116.1210	0.104	2	116.1210	0.104	2	117.1693	3.349	3	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:3:	3:3:	3:3:	C[6]-2:C[6]-2:Se-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(SeRe2)	C[6](C[6]C[6]Se)(C[6]C[6]H)	C[6](C[6]C[6]Se)(C[6]C[6]H)	C[6](C[6]C[6])2(SeRe2){1|C<3>,2|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6]H){1|C<3>,1|H<1>}	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	117.1693	3.349	3	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:B-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(BC[6]3)	C[6](C[6]C[6]B)(C[6]C[6])	C[6](C[6]C[6]B)(C[6]C[6])	C[6](C[6]C[6])2(BC[6]3){1|C<2>}	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	115.0175	1.015	28	115.0175	1.031	28	115.0928	1.158	29	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:B-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(BN[5]3)	C[6](C[6]C[6]B)(C[6]C[6])	C[6](C[6]C[6]B)(C[6]C[6])	C[6](C[6]C[6])2(BN[5]3){1|C<2>}	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	117.2000	0.000	1	117.2000	0.000	1	115.0928	1.158	29	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CC[6]HS)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CC[6]HS){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	120.1070	0.000	1	120.1070	0.000	1	120.4995	0.517	6	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CF3)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CF3){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<2>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<2>,1|C<2>}	121.4260	0.047	2	121.4260	0.002	2	120.4995	0.517	6	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(CH3){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	120.0127	0.030	3	120.0127	0.001	3	120.4995	0.517	6	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:N-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(NC3)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(NC3){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:P-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(PC[6]3)	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2(PC[6]3){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	119.8122	1.038	16	119.8122	1.077	16	119.8122	1.077	16	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SCOO)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2(SCOO){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	121.5870	0.000	1	121.5870	0.000	1	120.7454	1.138	12	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SNOO)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2(SNOO){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	121.6180	0.000	1	121.6180	0.000	1	120.7454	1.138	12	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SN[5]OO)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2(SN[5]OO){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	120.6995	0.717	4	120.6995	0.514	4	120.7454	1.138	12	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SO3)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2(SO3){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	120.4903	1.349	6	120.4903	1.821	6	120.7454	1.138	12	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:2:	3:2:	C[6]-2:C[6]-2:Si-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(SiCCO)	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6])2(SiCCO){1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>,1|C<3>}	117.0135	0.030	2	117.0135	0.001	2	117.0135	0.001	2	117.9175	7.784	66	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:2:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]N[6])	C[6](C[6]C[6])2(CC3){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|N<3>,2|C<2>}	C[6](C[6]C[6]C)(C[6]N[6]){1|Ni<4>,1|C<3>}	115.0185	0.381	2	115.0185	0.145	2	115.0185	0.145	2	115.0185	0.145	2	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:3:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](C[6]C[6])2(CC3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	115.5820	0.483	4	115.5820	0.234	4	118.2082	5.261	13	118.2082	5.261	13	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:3:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6])2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|C<2>,1|C<3>,1|N<3>}	119.5580	0.000	1	119.5580	0.000	1	118.2082	5.261	13	118.2082	5.261	13	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:3:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CCCH)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](C[6]C[6])2(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|B<3>,1|C<3>}	C[6](C[6]C[6]C)2{1|B<3>,1|C<3>}	117.9390	0.000	1	118.2985	0.258	2	118.2082	5.261	13	118.2082	5.261	13	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:3:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CCCH)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](C[6]C[6])2(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	118.6580	0.000	1	118.2985	0.258	2	118.2082	5.261	13	118.2082	5.261	13	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:3:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<1>}	C[6](C[6]C[6]C)2{2|C<3>}	C[6](C[6]C[6]C)2{2|C<3>}	118.7480	0.000	1	119.7038	3.866	6	118.2082	5.261	13	118.2082	5.261	13	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:3:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	119.8185	0.391	2	119.7038	3.866	6	118.2082	5.261	13	118.2082	5.261	13	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:3:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	121.6740	0.379	2	119.7038	3.866	6	118.2082	5.261	13	118.2082	5.261	13	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	2:2:4:	3:3:	3:3:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{2|C<3>}	C[6](C[6]C[6]C)2{2|C<3>}	116.4900	0.000	1	119.7038	3.866	6	118.2082	5.261	13	118.2082	5.261	13	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|C<2>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	119.5270	0.424	2	119.9582	0.339	10	119.5586	1.151	12	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|Pd<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	119.4870	0.290	2	119.9582	0.339	10	119.5586	1.151	12	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[5]C[5]N[5])(C[6]C[6])2{2|C<3>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<3>,1|N<2>,2|C<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<3>,1|N<2>,2|C<2>}	120.5108	0.471	4	119.9582	0.339	10	119.5586	1.151	12	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[5]C[5]N[5])(C[6]C[6])2{2|C<3>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|Cl<1>,1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|Cl<1>,1|C<2>,1|C<3>,1|N<2>}	119.7555	0.021	2	119.9582	0.339	10	119.5586	1.151	12	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[5]C[5]S[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[5]C[5]S[5])(C[6]C[6])2{3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|N<3>,1|S<2>,2|C<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|N<3>,1|S<2>,2|C<2>}	117.5605	0.170	2	117.5605	0.029	2	119.5586	1.151	12	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[5a]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	118.3620	0.000	1	118.5765	0.092	2	118.5765	0.092	2	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[5a]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|N<2>,2|C<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	118.7910	0.000	1	118.5765	0.092	2	118.5765	0.092	2	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])2{3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]){1|N<2>,3|C<2>}	C[6](C[6]C[6]2)(C[6]C[6]){1|N<2>,3|C<2>}	117.6300	0.000	1	117.6300	0.000	1	118.8260	11.557	4	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]N[6])	C[6](C[6]C[6]2)(C[6]N[6])	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<2>,2|C<2>}	C[6](C[6]C[6]2)(C[6]N[6]){3|C<2>}	C[6](C[6]C[6]2)(C[6]N[6]){3|C<2>}	123.1120	0.000	1	119.0730	32.627	2	118.8260	11.557	4	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]N[6])	C[6](C[6]C[6]2)(C[6]N[6])	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<3>,2|C<2>}	C[6](C[6]C[6]2)(C[6]N[6]){4|C<2>}	C[6](C[6]C[6]2)(C[6]N[6]){4|C<2>}	115.0340	0.000	1	119.0730	32.627	2	118.8260	11.557	4	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6])2{1|C<2>,1|S<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]){1|N<3>,2|C<2>}	C[6](C[6]C[6]2)(C[6]C[6]){1|N<3>,2|C<2>}	119.5280	0.000	1	119.5280	0.000	1	118.8260	11.557	4	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	N[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](N[5]C[5]2)(C[6]C[6])2	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	124.3080	1.144	2	123.9776	0.505	5	123.9776	0.505	5	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	N[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](N[5]C[5]2)(C[6]C[6])2	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,2|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	123.7573	0.416	3	123.9776	0.505	5	123.9776	0.505	5	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	N[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](N[6]C[6]S[6])(C[6]C[6])2	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](N[6]C[6]S[6])(C[6]C[6])2{1|C<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>,1|S<4>}	119.7180	0.000	1	119.7180	0.000	1	119.7180	0.000	1	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:	P-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6a]C[6])(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6a]C[6])(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	120.2098	5.906	25	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:	As-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](AsC[6a]I)(C[6]C[6])2	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](AsC[6a]I)(C[6]C[6])2{1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,1|H<1>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	119.6624	0.536	5	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])2	C[6](C[6]C[5]C[6])2	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|Ir<8>,1|C<2>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])2{2|N<3>,3|C<3>}	C[6](C[6]C[5]C[6])2{2|N<3>,3|C<3>}	119.7713	0.062	3	119.7713	0.004	3	119.7713	0.004	3	119.6624	0.536	5	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]N[6])(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<3>,2|C<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2){1|Pt<4>,1|C<3>,1|N<3>,3|C<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]2){1|Pt<4>,1|C<3>,1|N<3>,3|C<2>}	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	119.6624	0.536	5	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	C[4]-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[4]C[4]2C)(C[6]C[6])2	C[6](C[6]C[4]C[6])(C[6]C[6])	C[6](C[6]C[4]C[6])(C[6]C[6])	C[6](C[4]C[4]2C)(C[6]C[6])2{2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<2>,1|C<3>,2|C<4>}	118.2310	0.000	1	118.2310	0.000	1	117.5933	0.348	3	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	C[4]-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[4]C[4]2H)(C[6]C[6])2	C[6](C[6]C[4]C[6])(C[6]C[6])	C[6](C[6]C[4]C[6])(C[6]C[6])	C[6](C[4]C[4]2H)(C[6]C[6])2{1|C<4>,3|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<2>}	117.2745	0.292	2	117.2745	0.085	2	117.5933	0.348	3	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]2Au)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]2Au)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	119.6262	4.228	6	119.6262	17.873	6	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]2Fe)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]2Fe)(C[6]C[6])2{1|C<3>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>,1|O<2>}	118.6763	0.442	3	118.6763	0.195	3	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]2Ir)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]2Ir)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	109.8067	1.090	4	109.8067	1.188	4	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]2Ni)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]2Ni)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	112.2173	4.961	9	112.2173	24.616	9	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]2Pd)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]2Pd)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	120.5548	0.792	10	120.5548	0.627	10	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]2Pt)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]2Pt)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	123.2662	2.356	8	123.2662	5.550	8	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]2Re)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]2Re)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	118.9016	1.074	8	118.9016	1.153	8	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]FeC)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]FeC)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	119.2490	0.618	10	119.2490	0.382	10	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](PC[6]PtC)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](PC[6]PtC)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	120.9127	1.272	6	120.9127	1.617	6	118.4973	20.402	64	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	P[5]-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](P[5]C[6a]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[6]P[5])(C[6]C[6])	C[6](C[6]C[6]P[5])(C[6]C[6])	C[6](P[5]C[6a]C[5]N[5])(C[6]C[6])2{1|C<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]P[5])(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]P[5])(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	126.9970	0.000	1	126.9970	0.000	1	126.9970	0.000	1	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	Si-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](SiC[6]2O)(C[6]C[6])2	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](SiC[6]2O)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	117.5470	0.427	3	117.5470	0.182	3	117.1226	0.529	5	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:2:	3:2:	Si-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](SiC[6]CO)(C[6]C[6])2	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](SiC[6]CO)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	116.4860	0.634	2	116.4860	0.401	2	117.1226	0.529	5	118.4824	19.060	73	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:3:	3:3:	C-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](CC[6a]CH)(C[6]C[6])2	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2	C[6](CC[6a]CH)(C[6]C[6])2{1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	118.3530	0.000	1	118.3530	0.000	1	118.3530	0.000	1	118.7018	1.724	4	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:3:	3:3:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](PC[6]2Pd)(C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](PC[6]2Pd)(C[6]C[6])2{1|C<3>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|O<2>}	119.7310	0.091	2	119.7310	0.008	2	118.8180	2.505	3	118.7018	1.724	4	119.0624	8.953	350	118.8804	10.442	357
762	206	206	6:SP2_SP1_SP1	C[6]	C[6]	C[6]	4:2:2:	3:3:	3:3:	P-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](PC[6]MoC)(C[6]C[6])2	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6]MoC)(C[6]C[6])2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	116.9920	0.000	1	116.9920	0.000	1	118.8180	2.505	3	118.7018	1.724	4	119.0624	8.953	350	118.8804	10.442	357
762	206	466	0:SP2_SP1_SP3	C[3x6]	C[6]	C[3x6]	3:4:2:	3:3:	3:3:3:1:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[6,6a]-3:C[3x6]-3:	C[3x6]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2)	C[3x6](C[3x6]C[3x6]C[6])3(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])3(H){1|C<4>,3|C<2>,3|C<3>}	126.6040	0.000	1	126.6040	0.000	1	126.6040	0.000	1	126.6040	0.000	1	126.8838	0.565	6	124.9483	12.100	11
762	206	466	0:SP2_SP1_SP3	C[3x6]	C[6]	C[3x6]	4:3:2:	3:2:	3:3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:C-1:	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C)	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<1>,1|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C){2|C<3>,4|C<2>}	126.1960	0.767	2	126.1960	0.588	2	126.1960	0.588	2	126.9137	0.906	4	126.8838	0.565	6	124.9483	12.100	11
762	206	466	0:SP2_SP1_SP3	C[3x6]	C[6]	C[3x6]	4:3:2:	3:2:	3:3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:Cl-1:	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl)	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|Cl<1>,1|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(Cl){2|C<3>,4|C<2>}	127.6315	0.267	2	127.6315	0.071	2	127.6315	0.071	2	126.9137	0.906	4	126.8838	0.565	6	124.9483	12.100	11
762	206	466	0:SP2_SP1_SP3	C[3x6]	C[6]	C[3x6]	4:3:2:	3:3:	3:3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	126.8838	0.565	6	124.9483	12.100	11
762	206	466	0:SP2_SP1_SP3	C[6,6]	C[6]	C[6]	3:4:2:	3:3:	3:3:4:1:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	120.1890	0.097	2	124.9483	12.100	11
762	206	466	0:SP2_SP1_SP3	C[6,6]	C[6]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	119.9690	0.000	1	119.9690	0.000	1	119.9690	0.000	1	119.9690	0.000	1	120.1890	0.097	2	124.9483	12.100	11
762	206	466	0:SP2_SP1_SP3	C[6]	C[6]	C[6]	4:2:2:	3:3:	3:4:2:3:	C[6]-4:C[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-4:S[6]-2:C-3:	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO)	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	129.5320	0.000	1	129.5320	0.000	1	129.5320	0.000	1	129.5320	0.000	1	124.2500	24.418	3	124.9483	12.100	11
762	206	466	0:SP2_SP1_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:3:3:	C[6]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6]){4|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2{1|Se<2>,3|H<1>,6|C<3>}	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	124.2500	24.418	3	124.9483	12.100	11
762	206	466	0:SP2_SP1_SP3	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:4:3:1:	C[6]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]){1|C<4>,3|O<2>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	124.2500	24.418	3	124.9483	12.100	11
762	206	466	6:SP2_SP1_SP3	C[3x6]	C[6,6]	C[6,6]	4:2:2:	3:3:	4:3:1:1:	C[6,6]-4:C[6,6]-2:C[6,6]-2:	C[3x6]-3:C[3x6]-3:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2	C[6,6](C[3x6]C[6,6]2)2	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2{1|P<4>,3|C<2>}	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)(H)2{2|C<3>}	109.4830	1.283	2	109.4830	1.645	2	109.4830	1.645	2	109.4830	1.645	2	109.4830	1.645	2	117.2259	29.748	9
762	206	466	6:SP2_SP1_SP3	C[6,6]	C[6,6]	C[3x6]	4:2:1:	4:3:	4:4:3:1:	C[3x6]-4:C[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6])(H){1|O<2>,2|C<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H){2|C<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|H<1>}	114.0120	0.000	1	114.0120	0.000	1	114.0120	0.000	1	114.0120	0.000	1	114.0120	0.000	1	117.2259	29.748	9
762	206	466	6:SP2_SP1_SP3	C[6]	C[6]	C[6,6]	4:2:1:	3:3:	4:4:3:1:	C[6,6]-4:C[6]-2:O-1:	C[5,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6])(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6])(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	117.2259	29.748	9
762	206	466	6:SP2_SP1_SP3	C[6]	C[6]	C[6]	4:2:1:	3:2:	3:3:3:1:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H){4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	119.4010	0.000	1	119.4010	0.000	1	119.4010	0.000	1	119.4010	0.000	1	120.8814	9.777	5	117.2259	29.748	9
762	206	466	6:SP2_SP1_SP3	C[6]	C[6]	C[6]	4:2:1:	3:3:	3:3:4:1:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	122.6330	0.000	1	122.6330	0.000	1	122.6330	0.000	1	122.6330	0.000	1	120.8814	9.777	5	117.2259	29.748	9
762	206	466	6:SP2_SP1_SP3	C[6]	C[6]	C[6]	4:2:1:	3:3:	3:3:4:3:	C[6]-4:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:N-3:	C[6](C[6]C[6]CN)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,1|H<1>}	125.5090	0.000	1	125.5090	0.000	1	125.5090	0.000	1	125.5090	0.000	1	120.8814	9.777	5	117.2259	29.748	9
762	206	466	6:SP2_SP1_SP3	C[6]	C[6]	C[6]	4:3:2:	4:3:	3:4:1:1:	C[6]-4:C[5]-3:C[6]-2:	B[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6])	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6])	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6]){1|O<2>,4|C<3>,4|C<4>}	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2{1|B<4>,2|N<3>}	118.4320	0.660	2	118.4320	0.436	2	118.4320	0.436	2	118.4320	0.436	2	120.8814	9.777	5	117.2259	29.748	9
762	206	474	0:SP2_SP1_SP3	C[6,6]	C[6]	C[5,6]	4:3:2:	3:3:	3:3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-3:N[5]-3:	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N)	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H){1|O<2>,2|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	123.6840	11.007	2	122.6730	4.266	5
762	206	474	0:SP2_SP1_SP3	C[6,6]	C[6]	C[5,6]	4:3:2:	3:3:	4:3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	126.0300	0.000	1	126.0300	0.000	1	126.0300	0.000	1	126.0300	0.000	1	123.6840	11.007	2	122.6730	4.266	5
762	206	474	0:SP2_SP1_SP3	C[6]	C[6]	C[5]	4:3:2:	3:3:	2:2:3:1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	O[5]-2:O[5]-2:C[6]-3:H-1:	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|C<3>,2|O<2>,3|H<1>}	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	121.2220	0.000	1	121.2220	0.000	1	121.2220	0.000	1	121.2220	0.000	1	121.9990	1.324	3	122.6730	4.266	5
762	206	474	0:SP2_SP1_SP3	C[6]	C[6]	C[5]	4:3:2:	3:3:	3:3:3:3:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6]){1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	121.9990	1.324	3	122.6730	4.266	5
762	206	474	0:SP2_SP1_SP3	C[6]	C[6]	C[5]	4:3:2:	3:3:	4:3:3:2:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5,5]-4:C[6a]-3:C[6]-3:O[5]-2:	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5])	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6]){1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	123.3210	0.000	1	123.3210	0.000	1	123.3210	0.000	1	123.3210	0.000	1	121.9990	1.324	3	122.6730	4.266	5
762	206	478	0:SP2_SP1_SP3	C[6]	C[6]	C[4]	4:2:2:	3:2:	4:3:2:1:	C[4]-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[4]-4:C[6]-3:C[4]-2:H-1:	C[6](C[4]C[4]2H)(C[6]C[6])2	C[6](C[6]C[4]C[6])(C[6]C[6])	C[4](C[4]C[4]C[6]C)(C[6]C[6]2)(C[4]C[4])(H)	C[6](C[4]C[4]2H)(C[6]C[6])2{1|C<4>,3|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[4](C[4]C[4]C[6]C)(C[6]C[6]2)(C[4]C[4])(H){1|C<3>,1|H<1>,4|C<2>}	121.2720	1.438	4	121.2720	2.067	4	121.2720	2.067	4	121.2720	2.067	4	121.1380	1.502	6	121.1380	1.502	6
762	206	478	0:SP2_SP1_SP3	C[6]	C[6]	C[4]	4:2:2:	3:2:	4:4:3:3:	C[4]-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[4]-4:C[4]-4:C[6]-3:C-3:	C[6](C[4]C[4]2C)(C[6]C[6])2	C[6](C[6]C[4]C[6])(C[6]C[6])	C[4](C[4]C[4]C[6]H)2(C[6]C[6]2)(CNO)	C[6](C[4]C[4]2C)(C[6]C[6])2{2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<2>,1|C<3>,2|C<4>}	C[4](C[4]C[4]C[6]H)2(C[6]C[6]2)(CNO){6|C<2>}	120.8700	1.047	2	120.8700	1.095	2	120.8700	1.095	2	120.8700	1.095	2	121.1380	1.502	6	121.1380	1.502	6
762	206	486	0:SP2_SP1_SP3	C[6]	C[6]	C[3]	4:3:2:	3:3:	4:3:3:1:	C[3]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[3]-4:C[3]-3:C[6]-3:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[3]C[6])(C[6]C[6]H)	C[3](C[3]C[3]CH)(C[3]C[3]H)(C[6]C[6]2)(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[3](C[3]C[3]CH)(C[3]C[3]H)(C[6]C[6]2)(H){1|H<1>,2|C<3>}	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:2:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C-1:C-1:C-1:	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]C)(C[6]N[6])	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3){1|C<3>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]){1|Ni<4>,1|C<3>}	C(C[6]C[6]2)(C)3	123.3890	2.616	2	123.3890	6.845	2	123.3890	6.845	2	120.2983	11.239	12	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:2:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:F-1:F-1:F-1:	C[6](C[6]C[6])2(CF3)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(F)3	C[6](C[6]C[6])2(CF3){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<2>,1|C<2>}	C(C[6]C[6]2)(F)3	119.2807	1.120	4	119.2807	1.255	4	119.2807	1.255	4	120.2983	11.239	12	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:2:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(H)3	119.9465	4.220	6	119.9465	17.807	6	119.9465	17.807	6	120.2983	11.239	12	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:2:	4:3:2:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-4:C[6]-3:S-2:H-1:	C[6](C[6]C[6])2(CC[6]HS)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	C[6](C[6]C[6])2(CC[6]HS){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2H)(C[6]C[6]2)(SC)(H)	119.9460	3.145	2	119.9460	9.892	2	119.9460	9.892	2	119.9460	9.892	2	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-1:C-1:C-1:	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C(C[6]C[6]2)(C)3	122.1925	1.615	8	122.1925	2.609	8	121.7433	2.789	12	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-1:C-1:C-1:	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|N<3>,2|C<2>}	C(C[6]C[6]2)(C)3	121.4735	2.205	2	120.8450	2.525	4	121.7433	2.789	12	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-1:C-1:C-1:	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|C<2>,1|C<3>,1|N<3>}	C(C[6]C[6]2)(C)3	120.2165	1.063	2	120.8450	2.525	4	121.7433	2.789	12	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<1>}	C[6](C[6]C[6]C)2{2|C<3>}	C(C[6]C[6]2)(H)3	120.6240	0.546	2	120.1247	2.407	12	120.1247	2.407	12	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C(C[6]C[6]2)(H)3	120.0888	0.594	4	120.1247	2.407	12	120.1247	2.407	12	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C(C[6]C[6]2)(H)3	119.0968	2.094	4	120.1247	2.407	12	120.1247	2.407	12	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{2|C<3>}	C(C[6]C[6]2)(H)3	121.7530	1.387	2	120.1247	2.407	12	120.1247	2.407	12	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:O[6]-2:C-4:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6,6])(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C){3|C<3>}	C(C[6]C[6]O[6])(H)3	126.9090	0.000	1	126.9090	0.000	1	126.9090	0.000	1	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	C[6]-2:O[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-1:C-1:C-1:	C[6](C[6]C[6])(O[6]C[6])(CC3)	C[6](C[6]C[6]C)(C[6]O[6]C)	C(C[6]C[6]O[6])(C)3	C[6](C[6]C[6])(O[6]C[6])(CC3){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)(C[6]O[6]C){1|C<3>}	C(C[6]C[6]O[6])(C)3	127.2720	0.922	2	127.2720	0.850	2	127.2720	0.850	2	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:1:1:1:	N[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[6]C[6,6a])(C[6]C[6])(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]C[6])(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C){2|C<3>}	C(C[6]C[6]N[6])(H)3	120.6080	0.221	2	120.6080	0.049	2	120.6080	0.049	2	121.5547	6.388	29	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:4:4:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:H-1:	C[6](C[6]C[6])2(CCCH)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6])2(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|B<3>,1|C<3>}	C(C[6]C[6]2)(CH3)2(H)	121.0215	0.483	2	120.8415	0.136	4	120.8415	0.136	4	120.8415	0.136	4	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:2:4:	3:3:	3:4:4:1:	C[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:H-1:	C[6](C[6]C[6])2(CCCH)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6])2(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C(C[6]C[6]2)(CH3)2(H)	120.6615	0.211	2	120.8415	0.136	4	120.8415	0.136	4	120.8415	0.136	4	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:3:4:	3:3:	3:1:1:1:	C[6]-2:C[6]-3:C-4:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	121.1770	0.000	1	121.1770	0.000	1	121.1770	0.000	1	121.1770	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	2:3:4:	4:3:	3:1:1:1:	C[6]-2:C[6]-3:C-4:	C[6,6]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:2:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|S<4>}	C(C[6]C[6]2)(H)3	120.4750	0.000	1	121.5850	2.464	2	121.5850	2.464	2	121.5850	2.464	2	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:2:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|H<1>,1|S<2>}	C(C[6]C[6]2)(H)3	122.6950	0.000	1	121.5850	2.464	2	121.5850	2.464	2	121.5850	2.464	2	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:2:	3:2:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:O-2:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	120.8110	0.000	1	120.8110	0.000	1	120.8110	0.000	1	120.8110	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:2:	3:2:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C-2:C-2:O-1:	C[6](C[6]C[6]F)(C[6]C[6])(CCCO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CN[5])2(O)	C[6](C[6]C[6]F)(C[6]C[6])(CCCO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,2|F<1>}	C(C[6]C[6]2)(CN[5])2(O)	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:2:	3:4:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:P-4:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHP)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(PCuCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHP){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,2|H<1>}	C(C[6]C[6]2)(PCuCC)(H)2	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:2:	3:4:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C-4:O-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHN)(OH)(H)	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:2:	4:3:1:1:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	B[5]-4:C[6]-3:H-1:H-1:	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH)	C[6](C[6]N[6]C)(C[6]C[6])	C(B[5]C[5,6a]C[5,6]N[6])(C[6]C[6]N[6])(H)2	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|B<4>,1|C<2>}	C(B[5]C[5,6a]C[5,6]N[6])(C[6]C[6]N[6])(H)2	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-1:C-1:C-1:	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(C)3	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C(C[6]C[6]2)(C)3	121.4727	0.548	4	121.4727	0.300	4	121.4727	0.300	4	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:F-1:F-1:F-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]B)(C[6]C[6]C)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|B<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]B)(C[6]C[6]C){1|C<3>,2|H<1>}	C(C[6]C[6]2)(F)3	119.5160	0.000	1	119.5160	0.000	1	119.0433	7.555	3	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:F-1:F-1:F-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|S<4>}	C(C[6]C[6]2)(F)3	121.5250	0.000	1	118.8070	14.775	2	119.0433	7.555	3	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:F-1:F-1:F-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(F)3	116.0890	0.000	1	118.8070	14.775	2	119.0433	7.555	3	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6]C)2{2|C<3>}	C(C[6]C[6]2)(H)3	121.0570	0.051	2	121.0570	0.003	2	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]2)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	118.2170	0.000	1	118.2170	0.000	1	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	114.8890	0.000	1	114.8890	0.000	1	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	120.4020	0.000	1	121.1383	1.090	3	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	122.3330	0.000	1	121.1383	1.090	3	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Zr<13>,1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	120.6800	0.000	1	121.1383	1.090	3	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	122.2770	0.000	1	122.2770	0.000	1	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	121.8120	0.000	1	121.0893	2.105	6	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	120.9805	2.983	2	121.0893	2.105	6	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	120.1090	0.000	1	121.0893	2.105	6	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	121.3270	0.076	2	121.0893	2.105	6	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	C(C[6]C[6]2)(H)3	121.5290	0.000	1	121.5290	0.000	1	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<3>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|N<4>}	C(C[6]C[6]2)(H)3	120.5330	0.000	1	120.5330	0.000	1	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C(C[6]C[6]2)(H)3	119.7830	0.729	4	119.7830	0.531	4	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	121.1680	0.000	1	121.1680	0.000	1	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]P)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	123.3020	0.000	1	123.3020	0.000	1	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	124.2300	0.000	1	124.2300	0.000	1	120.7540	3.724	23	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:1:1:1:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	124.4060	0.000	1	124.4060	0.000	1	124.4060	0.000	1	120.7990	4.068	31	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:2:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:O-2:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	115.6910	0.000	1	115.6910	0.000	1	120.0710	38.369	2	120.0540	19.185	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:2:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:O-2:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OC[6a])(H)2	124.4510	0.000	1	124.4510	0.000	1	120.0710	38.369	2	120.0540	19.185	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:2:1:1:	C[6]-3:C[6]-2:C-4:	N[6]-3:C[6]-3:	C[6]-3:O-2:H-1:H-1:	C[6](C[6]N[6]N)(C[6]N[6])(CHHO)	C[6](N[6]C[5]C[6])(C[6]C[6]C)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]N[6]N)(C[6]N[6])(CHHO){1|C<3>,1|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(OH)(H)2	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.0540	19.185	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:3:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(COO)(H)2	122.0610	0.000	1	122.0610	0.000	1	122.0610	0.000	1	121.5813	0.178	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:3:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:S-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHS)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(SCO)(H)2	121.2670	0.000	1	121.2670	0.000	1	121.2670	0.000	1	121.5813	0.178	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:3:1:1:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:O-3:H-1:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6])(CHHO)	C[6](C[6]C[6]N)(C[6]N[6]C)	C(C[6]C[6]N[6])(ONiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6])(CHHO){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C){1|Ni<6>,1|C<2>,1|H<1>}	C(C[6]C[6]N[6])(ONiC)(H)2	121.4160	0.000	1	121.4160	0.000	1	121.4160	0.000	1	121.5813	0.178	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)2(CHH)(H)	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:3:4:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)2(CH3)(H)	124.0420	0.000	1	124.0420	0.000	1	124.0420	0.000	1	122.2950	6.104	2	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:3:4:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:N[5]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	122.2950	6.104	2	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	120.4370	0.000	1	121.2500	1.322	2	118.8983	17.252	3	119.9794	6.953	7	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	122.0630	0.000	1	121.2500	1.322	2	118.8983	17.252	3	119.9794	6.953	7	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	114.1950	0.000	1	114.1950	0.000	1	118.8983	17.252	3	119.9794	6.953	7	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:1:1:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6])(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	120.8270	0.000	2	120.8270	0.000	2	120.5583	0.217	3	119.9794	6.953	7	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:1:1:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6])(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	120.0210	0.000	1	120.0210	0.000	1	120.5583	0.217	3	119.9794	6.953	7	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:1:1:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:N-4:H-1:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6])(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6])(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	119.9794	6.953	7	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	121.8700	0.000	1	121.8700	0.000	1	121.9267	0.002	3	122.0598	0.072	4	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CH3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NCH)(H)	121.9550	0.000	2	121.9550	0.000	2	121.9267	0.002	3	122.0598	0.072	4	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:P-4:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHNP)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(PO3)(NCH)(H)	122.4590	0.000	1	122.4590	0.000	1	122.4590	0.000	1	122.0598	0.072	4	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:4:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:H-1:	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|B<3>,1|C<3>}	C(C[6]C[6]2)(CH3)2(H)	119.7940	0.047	2	119.7940	0.002	2	120.1749	0.486	7	120.3522	0.668	8	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:4:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:H-1:	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)2(H)	119.9970	0.000	1	119.9970	0.000	1	120.1749	0.486	7	120.3522	0.668	8	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:4:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:H-1:	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(CH3)2(H)	119.3920	0.000	1	119.3920	0.000	1	120.1749	0.486	7	120.3522	0.668	8	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:4:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)2(H)	121.3690	0.000	1	121.3690	0.000	1	120.1749	0.486	7	120.3522	0.668	8	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:4:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C(C[6]C[6]2)(CH3)2(H)	120.4390	0.643	2	120.4390	0.414	2	120.1749	0.486	7	120.3522	0.668	8	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:4:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:P-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHP)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CCHH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(PO3)(H)	121.5940	0.000	1	121.5940	0.000	1	121.5940	0.000	1	120.3522	0.668	8	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:4:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C[6](C[6]C[6]Ir)(C[6]C[6]C)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir)(C[6]C[6]C){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)3	121.6570	0.000	1	121.6570	0.000	1	119.3936	6.206	7	119.3936	6.206	7	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	3:4:4:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C(C[6]C[6]2)(CH3)3	119.0163	2.500	6	119.0163	6.252	6	119.3936	6.206	7	119.3936	6.206	7	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	4:3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[5]-4:C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	123.6630	0.000	1	123.6630	0.000	1	123.6630	0.000	1	123.6630	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	3:3:	4:3:4:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C-4:C[6]-3:C-4:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	123.7750	0.000	1	123.7750	0.000	1	123.7750	0.000	1	123.7750	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:2:4:	4:3:	3:1:1:1:	C[6]-3:C[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]LiH)(C[6]C[6]C)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|Li<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]LiH)(C[6]C[6]C){1|Ti<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	120.9130	0.000	1	120.9130	0.000	1	120.9130	0.000	1	120.9130	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:	3:3:1:1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	123.6080	0.000	1	122.4630	2.622	2	119.8413	21.930	3	119.8413	21.930	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:	3:3:1:1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	121.3180	0.000	1	122.4630	2.622	2	119.8413	21.930	3	119.8413	21.930	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:	3:3:1:1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]C)2	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	114.5980	0.000	1	114.5980	0.000	1	119.8413	21.930	3	119.8413	21.930	3	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	3:4:2:	3:3:	3:3:3:2:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	119.6210	0.000	1	119.6210	0.000	1	119.6210	0.000	1	119.6210	0.000	1	120.8148	5.939	131	120.8148	5.939	131
762	206	490	0:SP2_SP1_SP3	C[6]	C[6]	C	4:2:2:	3:3:	3:3:4:1:	C-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C-4:H-1:	C[6](CC[6a]CH)(C[6]C[6])2	C[6](C[6]C[6]C)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C[6](CC[6a]CH)(C[6]C[6])2{1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	120.6775	4.265	2	120.6775	18.186	2	120.6775	18.186	2	120.6775	18.186	2	120.8148	5.939	131	120.8148	5.939	131
762	206	542	0:SP2_SP1_SP2	C[6]	C[6]	N[5]	3:2:2:	3:2:	3:2:2:	N[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[5]-2:C[5]-2:	C[6](N[5]C[5]2)(C[6]C[6])2	C[6](C[6]C[6]N[5])(C[6]C[6])	N[5](C[6]C[6]2)(C[5]N[5])2	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	N[5](C[6]C[6]2)(C[5]N[5])2{1|Fe<6>,2|C<2>}	117.7892	1.262	4	117.9650	2.035	10	117.9650	2.035	10	117.9650	2.035	10	119.2249	7.170	14	119.2249	7.170	14
762	206	542	0:SP2_SP1_SP2	C[6]	C[6]	N[5]	3:2:2:	3:2:	3:2:2:	N[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[5]-2:C[5]-2:	C[6](N[5]C[5]2)(C[6]C[6])2	C[6](C[6]C[6]N[5])(C[6]C[6])	N[5](C[6]C[6]2)(C[5]N[5])2	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,2|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	N[5](C[6]C[6]2)(C[5]N[5])2{2|Fe<6>,2|C<2>}	118.0822	1.633	6	117.9650	2.035	10	117.9650	2.035	10	117.9650	2.035	10	119.2249	7.170	14	119.2249	7.170	14
762	206	542	0:SP2_SP1_SP2	C[6]	C[6]	N[5]	3:3:2:	3:2:	3:3:2:	N[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	N[5]-3:C[6]-3:C[5]-2:	C[6](N[5]C[5]N[5])(C[6]C[6]Ir)(C[6]C[6])	C[6](C[6]C[6]N[5])(C[6]C[6])	N[5](N[5]C[5]Ir)(C[6]C[6]2)(C[5]C[5])	C[6](N[5]C[5]N[5])(C[6]C[6]Ir)(C[6]C[6]){3|C<2>}	C[6](C[6]C[6]N[5])(C[6]C[6]){1|Ir<6>,1|N<3>,2|C<2>}	N[5](N[5]C[5]Ir)(C[6]C[6]2)(C[5]C[5]){2|C<2>}	120.3755	0.103	2	120.3755	0.011	2	120.3755	0.011	2	120.3755	0.011	2	119.2249	7.170	14	119.2249	7.170	14
762	206	542	0:SP2_SP1_SP2	C[6]	C[6]	N[5]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[5]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]Ir)(N[5]C[5]2)(C[6]C[6])	C[6](C[6]C[6]N[5])(C[6]N[6]H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]Ir)(N[5]C[5]2)(C[6]C[6]){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]H){2|Ir<8>,3|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]C[6]2){1|C<4>,1|H<1>,2|C<3>}	125.6660	0.000	1	125.6660	0.000	1	125.6660	0.000	1	125.6660	0.000	1	119.2249	7.170	14	119.2249	7.170	14
762	206	542	0:SP2_SP1_SP2	C[6]	C[6]	N[5]	3:3:2:	3:3:	3:4:3:	N[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]N[5])(C[6]C[6]O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]2)	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]2){3|H<1>,4|C<3>}	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	119.2249	7.170	14	119.2249	7.170	14
762	206	542	6:SP2_SP1_SP2	C[6]	C[6]	N[5,6]	3:2:1:	3:3:	3:3:2:	N[5,6]-3:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(C)	C[6](C[6]N[5,6]C)(C[6]N[6]C)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(C){1|C<1>,1|C<2>,2|N<2>}	C[6](C[6]N[5,6]C)(C[6]N[6]C){1|C<3>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|C<3>}	115.2760	0.000	1	115.2760	0.000	1	115.2760	0.000	1	113.7655	4.563	2	113.7655	4.563	2	113.7655	4.563	2
762	206	542	6:SP2_SP1_SP2	C[6]	C[6]	N[5,6]	3:2:1:	3:3:	3:3:2:	N[5,6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(O)	C[6](C[6]N[5,6]O)(C[6]N[6]C)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]O)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(O){1|C<1>,1|C<2>,2|N<2>}	C[6](C[6]N[5,6]O)(C[6]N[6]C){1|C<3>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]O)(N[5]C[5]){1|C<3>}	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	113.7655	4.563	2	113.7655	4.563	2	113.7655	4.563	2
762	206	610	0:SP2_SP1_SP3	C[6]	C[6]	B	2:2:4:	3:2:	3:3:3:3:	C[6]-2:C[6]-2:B-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6])2(BC[6]3)	C[6](C[6]C[6]B)(C[6]C[6])	B(C[6]C[6]2)4	C[6](C[6]C[6])2(BC[6]3){1|C<2>}	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	B(C[6]C[6]2)4	122.3716	1.981	55	122.3716	3.926	55	122.3716	3.926	55	122.3372	3.819	57	122.4567	4.111	59	122.4567	4.111	59
762	206	610	0:SP2_SP1_SP3	C[6]	C[6]	B	2:2:4:	3:2:	3:3:3:3:	C[6]-2:C[6]-2:B-4:	C[6]-3:C[6]-2:	C[6]-3:N[5]-3:N[5]-3:N[5]-3:	C[6](C[6]C[6])2(BN[5]3)	C[6](C[6]C[6]B)(C[6]C[6])	B(C[6]C[6]2)(N[5]C[5]2)3	C[6](C[6]C[6])2(BN[5]3){1|C<2>}	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	B(C[6]C[6]2)(N[5]C[5]2)3	121.3925	0.059	2	121.3925	0.003	2	121.3925	0.003	2	122.3372	3.819	57	122.4567	4.111	59	122.4567	4.111	59
762	206	610	0:SP2_SP1_SP3	C[6]	C[6]	B	3:2:4:	3:3:	3:3:3:3:	C[6]-3:C[6]-2:B-4:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]C)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|C<4>}	C[6](C[6]C[6]B)(C[6]C[6]C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(C[6]C[6]2)	125.3290	0.000	1	125.3290	0.000	1	125.8630	0.570	2	125.8630	0.570	2	122.4567	4.111	59	122.4567	4.111	59
762	206	610	0:SP2_SP1_SP3	C[6]	C[6]	B	3:2:4:	3:3:	3:3:3:3:	C[6]-3:C[6]-2:B-4:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]H)	B(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(C[6]C[6]2)	126.3970	0.000	1	126.3970	0.000	1	125.8630	0.570	2	125.8630	0.570	2	122.4567	4.111	59	122.4567	4.111	59
762	206	618	0:SP2_SP1_SP2	C[6,6]	C[6]	B[6]	3:3:2:	3:3:	3:3:1:	C[6,6]-3:B[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:I-1:	C[6,6](C[6,6]B[6]C[6])(B[6]C[6,6]I)(C[6]C[6])	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)	B[6](C[6,6]C[6,6]C[6])2(I)	C[6,6](C[6,6]B[6]C[6])(B[6]C[6,6]I)(C[6]C[6]){1|C<2>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H){1|B<3>,1|C<2>,1|C<3>,1|H<1>,1|I<1>}	B[6](C[6,6]C[6,6]C[6])2(I){1|B<3>,2|C<2>,2|C<3>}	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1
762	206	622	0:SP2_SP1_SP2	C[6,6]	C[6]	O[6]	3:2:2:	3:3:	3:3:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6]){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C){3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|H<1>,3|C<3>}	115.8580	0.000	1	115.8580	0.000	1	115.8580	0.000	1	116.5077	0.319	3	117.5115	4.244	4	117.5115	4.244	4
762	206	622	0:SP2_SP1_SP2	C[6,6]	C[6]	O[6]	3:2:2:	3:3:	3:3:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])2{2|C<2>,3|C<3>}	116.7810	0.000	1	116.8325	0.005	2	116.8325	0.005	2	116.5077	0.319	3	117.5115	4.244	4	117.5115	4.244	4
762	206	622	0:SP2_SP1_SP2	C[6,6]	C[6]	O[6]	3:2:2:	3:3:	3:3:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	O[6](C[6,6]C[6,6]C[6])2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N){1|C<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])2{2|C<2>,3|C<3>}	116.8840	0.000	1	116.8325	0.005	2	116.8325	0.005	2	116.5077	0.319	3	117.5115	4.244	4	117.5115	4.244	4
762	206	622	0:SP2_SP1_SP2	C[6,6]	C[6]	O[6]	3:2:2:	3:3:	3:4:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:B[6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H){1|B<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F){1|H<1>,3|C<3>,3|C<4>}	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	117.5115	4.244	4	117.5115	4.244	4
762	206	622	6:SP2_SP1_SP2	C[6]	C[6]	O[6]	2:2:4:	3:3:	3:3:	C[6]-2:O[6]-2:C-4:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6])(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)	O[6](C[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C){3|C<3>}	O[6](C[6]C[6,6]O)(C[6]C[6]C){2|C<3>}	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.3097	0.026	3	120.8870	1.351	4	120.8870	1.351	4
762	206	622	6:SP2_SP1_SP2	C[6]	C[6]	O[6]	2:2:4:	3:3:	3:3:	C[6]-2:O[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(O[6]C[6])(CC3)	C[6](C[6]C[6]C)(C[6]O[6]C)	O[6](C[6]C[6]C)2	C[6](C[6]C[6])(O[6]C[6])(CC3){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)(C[6]O[6]C){1|C<3>}	O[6](C[6]C[6]C)2{1|C<3>}	120.2160	0.008	2	120.2160	0.000	2	120.2160	0.000	2	120.3097	0.026	3	120.8870	1.351	4	120.8870	1.351	4
762	206	622	6:SP2_SP1_SP2	C[6]	C[6]	O[6]	4:2:2:	3:3:	3:3:	C[6]-4:C[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]O)	O[6](C[6]C[5a]C[6])(C[6]C[6]2)	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	O[6](C[6]C[5a]C[6])(C[6]C[6]2){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	122.6190	0.000	1	122.6190	0.000	1	122.6190	0.000	1	122.6190	0.000	1	120.8870	1.351	4	120.8870	1.351	4
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){5|C<3>}	121.0680	0.000	1	121.0680	0.000	1	121.0705	0.000	2	121.0705	0.000	2	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6a]N[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])2{1|N<2>,4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.0730	0.000	1	121.0730	0.000	1	121.0705	0.000	2	121.0705	0.000	2	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6a]N[6])2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])2{1|N<2>,4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	120.7250	1.008	2	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H){4|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	120.0150	0.000	1	120.0150	0.000	1	120.0150	0.000	1	120.7250	1.008	2	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6])	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|Te<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,2|C<2>,3|H<1>}	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H){1|Mn<6>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<2>,2|C<3>,3|H<1>}	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|H<1>,3|C<3>}	120.4820	0.000	1	120.4820	0.000	1	120.4820	0.000	1	120.3013	8.097	19	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-2:	C[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ir)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]){1|Ir<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ir){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.5765	1.559	2	117.5765	2.431	2	117.5765	2.431	2	120.3013	8.097	19	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,3|H<1>,4|C<3>}	122.8490	0.000	1	122.8490	0.000	1	122.8490	0.000	1	120.3013	8.097	19	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]N[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,3|H<1>}	116.6630	0.000	1	116.6630	0.000	1	119.6425	3.592	13	120.3013	8.097	19	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|C<3>,3|H<1>}	121.7155	1.501	2	121.7155	2.254	2	119.6425	3.592	13	120.3013	8.097	19	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){3|C<3>,3|H<1>}	119.5258	1.607	10	119.5258	2.583	10	119.6425	3.592	13	120.3013	8.097	19	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	128.1250	0.000	1	128.1250	0.000	1	128.1250	0.000	1	120.3013	8.097	19	120.4721	6.003	26	120.4721	6.003	26
762	206	643	0:SP2_SP1_SP2	C[6]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Co)(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Co)(C[6a]C[6a]H){1|O<1>,4|C<3>}	123.7630	0.000	1	123.7630	0.000	1	123.7630	0.000	1	120.3013	8.097	19	120.4721	6.003	26	120.4721	6.003	26
762	206	643	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6,6a]-3:P[6]-4:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6])	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6])	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6]){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H){1|H<1>,1|S<1>,2|C<3>,2|S<2>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6]){1|N<3>,2|C<3>,2|S<1>,2|S<2>,3|H<1>}	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:2:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6])	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]){1|Cu<6>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:2:3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:S[6a]-2:C[6]-3:	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(S[6a]C[6a,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H){4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(S[6a]C[6a,6a])(C[6]C[6]H){5|C<3>}	120.3270	0.000	1	120.3270	0.000	1	120.3270	0.000	1	119.3160	2.044	2	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:2:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>}	118.3050	0.000	1	118.3050	0.000	1	118.3050	0.000	1	119.3160	2.044	2	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:Br-1:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Br){1|O<2>,2|C<3>,2|H<1>}	121.5240	0.000	1	121.5240	0.000	1	121.5240	0.000	1	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H){1|C<4>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6])(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|H<1>,2|S<2>,3|C<3>}	120.8070	0.000	1	120.8070	0.000	1	120.8070	0.000	1	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	120.7695	0.571	2	120.7695	0.326	2	120.7695	0.326	2	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	121.3820	0.000	1	121.3820	0.000	1	120.5732	0.790	9	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	120.6260	0.000	1	121.1505	0.550	2	120.5732	0.790	9	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	121.6750	0.000	1	121.1505	0.550	2	120.5732	0.790	9	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	120.6910	0.000	1	120.6910	0.000	1	120.5732	0.790	9	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]S){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	121.7050	0.000	1	121.7050	0.000	1	120.5732	0.790	9	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C){2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	120.0475	0.165	2	120.0475	0.027	2	120.5732	0.790	9	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H){1|Cu<4>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	119.1490	0.000	1	119.1490	0.000	1	120.5732	0.790	9	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H){4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,4|C<3>}	119.8360	0.000	1	119.8360	0.000	1	120.5732	0.790	9	120.6308	0.633	14	120.3812	0.937	18	120.3872	0.885	19
762	206	643	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(PC[6a]C[6]Sb)(C[6]C[6])	C[6](C[6]C[6,6a]P)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sb)(C[6]C[6]P)	C[6](C[6,6a]C[6,6a]C[6a])(PC[6a]C[6]Sb)(C[6]C[6]){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]P)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sb)(C[6]C[6]P){2|C<3>,3|H<1>}	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	120.3812	0.937	18	120.3872	0.885	19
762	206	727	0:SP2_SP1_SP2	C[6]	C[6]	C[5a]	3:2:2:	3:2:	3:2:3:	C[5a]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){1|C<3>,5|C<2>}	120.8175	0.657	2	120.8175	0.432	2	120.8175	0.432	2	120.8175	0.432	2	120.4990	1.085	7	120.4990	1.085	7
762	206	727	0:SP2_SP1_SP2	C[6]	C[6]	C[5a]	3:2:2:	3:2:	3:3:3:	C[5a]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[5a]-3:N[5a]-3:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|N<2>,2|C<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2){1|C<3>,4|C<2>}	120.5600	2.144	2	120.5600	4.597	2	120.5600	4.597	2	120.5600	4.597	2	120.4990	1.085	7	120.4990	1.085	7
762	206	727	0:SP2_SP1_SP2	C[6]	C[6]	C[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	N[5a]-3:N[5a]-2:C[6]-3:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|C<2>,1|H<1>,3|C<3>}	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	120.4990	1.085	7	120.4990	1.085	7
762	206	727	0:SP2_SP1_SP2	C[6]	C[6]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2){1|H<1>,6|C<3>}	119.5130	0.000	1	119.5130	0.000	1	119.5130	0.000	1	120.2475	1.079	2	120.4990	1.085	7	120.4990	1.085	7
762	206	727	0:SP2_SP1_SP2	C[6]	C[6]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,2|C<3>,2|N<2>}	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	120.2475	1.079	2	120.4990	1.085	7	120.4990	1.085	7
762	206	727	6:SP2_SP1_SP2	C[6,6]	C[6]	C[5a,6,6]	3:3:2:	3:3:	3:3:3:	C[5a,6,6]-3:C[5,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-3:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6])	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6]){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6]){1|H<1>,1|N<3>,1|S<2>,2|O<2>,3|C<3>}	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	118.1512	4.445	6
762	206	727	6:SP2_SP1_SP2	C[6]	C[6]	C[5a,6]	3:2:1:	3:3:	3:2:3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	115.3280	0.000	1	115.3280	0.000	1	115.3280	0.000	1	115.3280	0.000	1	118.1384	5.555	5	118.1512	4.445	6
762	206	727	6:SP2_SP1_SP2	C[6]	C[6]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|H<1>,1|N<2>,2|C<3>}	116.6360	0.000	1	116.6360	0.000	1	116.6360	0.000	1	118.8410	4.115	4	118.1384	5.555	5	118.1512	4.445	6
762	206	727	6:SP2_SP1_SP2	C[6]	C[6]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<2>,1|H<1>,2|C<3>}	121.5470	0.000	1	121.5470	0.000	1	119.5760	2.931	3	118.8410	4.115	4	118.1384	5.555	5	118.1512	4.445	6
762	206	727	6:SP2_SP1_SP2	C[6]	C[6]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|H<1>}	118.4580	0.000	1	118.4580	0.000	1	119.5760	2.931	3	118.8410	4.115	4	118.1384	5.555	5	118.1512	4.445	6
762	206	727	6:SP2_SP1_SP2	C[6]	C[6]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,2|H<1>}	118.7230	0.000	1	118.7230	0.000	1	119.5760	2.931	3	118.8410	4.115	4	118.1384	5.555	5	118.1512	4.445	6
762	206	730	0:SP2_SP1_SP2	C[6]	C[6]	As	3:2:2:	3:3:	3:3:1:	As-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:I-1:	C[6](AsC[6a]I)(C[6]C[6])2	C[6](C[6]C[6]As)(C[6]C[6]H)	As(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6](AsC[6a]I)(C[6]C[6])2{1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,1|H<1>}	As(C[6a]C[6a]2)(C[6]C[6]2)(I)	120.6890	5.377	2	120.6890	28.910	2	120.6890	28.910	2	120.6890	28.910	2	119.2200	12.613	4	119.2200	12.613	4
762	206	730	0:SP2_SP1_SP2	C[6]	C[6]	As	3:3:2:	3:2:	3:3:2:	C[6]-3:As-3:C[6]-2:	C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6])	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	119.2200	12.613	4	119.2200	12.613	4
762	206	730	0:SP2_SP1_SP2	C[6]	C[6]	As	3:3:2:	3:3:	3:3:2:	C[6]-3:As-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6]H)	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	119.2200	12.613	4	119.2200	12.613	4
762	206	762	0:SP2_SP1_SP2	C[3x6]	C[6]	C[3x6]	3:3:2:	3:2:	3:3:3:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	126.4835	0.414	2	126.6097	0.078	4	126.6097	0.078	4	126.6097	0.078	4	126.6097	0.078	4	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[3x6]	C[6]	C[3x6]	3:3:2:	3:2:	3:3:3:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	126.7360	0.016	2	126.6097	0.078	4	126.6097	0.078	4	126.6097	0.078	4	126.6097	0.078	4	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:2:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O){1|C<3>,1|N<3>,2|C<2>}	120.2890	0.000	1	120.2890	0.000	1	120.2890	0.000	1	120.2890	0.000	1	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){4|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN){3|C<2>}	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>}	123.2360	0.000	1	123.9463	1.008	3	123.9463	1.008	3	123.9463	1.008	3	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>}	123.5080	0.000	1	123.9463	1.008	3	123.9463	1.008	3	123.9463	1.008	3	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	125.0950	0.000	1	123.9463	1.008	3	123.9463	1.008	3	123.9463	1.008	3	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Pd)(CN)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,3|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Pd)(CN){3|C<2>}	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	116.1740	37.290	2	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(ONi)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|N<3>,1|O<1>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(ONi){1|C<3>,2|C<2>}	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	116.1740	37.290	2	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[5a]-3:C[6]-3:	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P)	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|N<2>,1|N<3>,1|P<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){2|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P){2|C<3>,4|C<2>}	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:2:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<2>}	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	123.3420	0.000	1	124.5027	1.759	3	123.6880	3.827	4	123.6880	3.827	4	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	125.0830	1.223	2	124.5027	1.759	3	123.6880	3.827	4	123.6880	3.827	4	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|I<2>,2|C<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){3|C<3>}	121.2440	0.000	1	121.2440	0.000	1	123.6880	3.827	4	123.6880	3.827	4	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){1|C<4>,2|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	125.3190	0.000	1	125.6355	0.200	2	125.6355	0.200	2	125.6355	0.200	2	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6,6]	C[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){2|C<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	125.9520	0.000	1	125.6355	0.200	2	125.6355	0.200	2	125.6355	0.200	2	122.3087	12.984	15	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])2{3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]){1|N<2>,3|C<2>}	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<3>,2|C<2>,2|C<3>}	121.1845	1.904	2	121.1845	3.626	2	121.1845	3.626	2	121.1845	3.626	2	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:3:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	N[6]-3:C[6]-2:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])2{1|C<2>,1|S<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]){1|N<3>,2|C<2>}	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2){1|C<3>,2|O<1>,5|C<2>}	120.2080	0.552	2	120.2080	0.304	2	120.2080	0.304	2	120.2080	0.304	2	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:2:2:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]N[6])(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<3>,2|C<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2){1|Pt<4>,1|C<3>,1|N<3>,3|C<2>}	C[6](C[6]C[6]2)(C[6]C[6])2{3|C<3>}	119.7265	1.925	2	119.7265	3.707	2	119.7265	3.707	2	119.7265	3.707	2	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	4:3:	3:3:2:	C[6]-3:Se[6]-2:C[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6])	C[6](C[6]C[6a]C[6]2)(C[6]Se[6]C[6])	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6]){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]Se[6]C[6]){1|C<2>,1|H<1>,6|C<3>}	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	123.3950	0.000	1	123.3950	0.000	1	123.3950	0.000	1	123.3950	0.000	1	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:2:2:	N[6]-3:C[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-2:C[6]-2:	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6])2	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2){1|C<3>,2|O<1>,5|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]){1|C<3>,1|S<4>,4|C<2>}	C[6](C[6]C[6]N[6])(C[6]C[6])2{1|C<2>,1|S<4>,2|C<3>}	125.5700	0.000	1	125.5700	0.000	1	125.5700	0.000	1	125.5700	0.000	1	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:	3:3:2:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]){3|C<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<2>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]){3|C<2>}	123.3269	1.109	8	123.3269	1.231	8	123.5476	1.176	10	123.5476	1.176	10	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:	3:3:2:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]){1|C<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]){1|Pt<4>,1|N<3>,2|C<2>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]){2|C<3>,3|C<2>}	124.4305	0.159	2	124.4305	0.025	2	123.5476	1.176	10	123.5476	1.176	10	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:2:2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:Se[6]-2:C[6]-2:	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6])	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6]){1|H<1>,6|C<3>}	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	116.7120	0.000	1	121.5775	17.887	4	121.5775	17.887	4	124.7455	12.350	12	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<3>,1|H<1>,2|C<2>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	126.8500	0.000	1	121.5775	17.887	4	121.5775	17.887	4	124.7455	12.350	12	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	121.3740	1.451	2	121.5775	17.887	4	121.5775	17.887	4	124.7455	12.350	12	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(C[6]C[6]Pd)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]Pd)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|Pd<4>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]){2|H<1>,3|C<3>}	124.9930	0.000	1	124.9930	0.000	1	124.9930	0.000	1	124.7455	12.350	12	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|N<3>,2|C<2>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]){1|C<4>,2|C<2>,2|C<3>}	124.3695	1.430	2	126.1672	6.185	4	126.4527	3.948	6	124.7455	12.350	12	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]){1|C<4>,2|C<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	127.9650	1.892	2	126.1672	6.185	4	126.4527	3.948	6	124.7455	12.350	12	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]){2|C<3>,3|C<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]2){1|Pt<4>,1|C<3>,1|N<3>,3|C<2>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]){1|C<2>,2|C<3>}	127.0235	0.455	2	127.0235	0.207	2	126.4527	3.948	6	124.7455	12.350	12	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	N[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pd)(C[6]C[6])	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H){1|Pd<4>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pd)(C[6]C[6]){2|H<1>,3|C<3>}	126.9270	0.000	1	126.9270	0.000	1	126.9270	0.000	1	124.7455	12.350	12	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	123.2330	12.530	5	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	123.2330	12.530	5	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	126.9230	0.000	1	126.9230	0.000	1	125.7150	1.122	3	123.2330	12.530	5	123.4192	8.233	36	123.3484	9.799	55
762	206	762	0:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	125.1110	0.233	2	125.1110	0.054	2	125.7150	1.122	3	123.2330	12.530	5	123.4192	8.233	36	123.3484	9.799	55
762	206	762	6:SP2_SP1_SP2	C[3x6]	C[6]	C[3x6]	3:3:2:	3:2:	4:3:2:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	120.5615	0.177	2	120.5615	0.032	2	120.2237	0.291	4	120.2237	0.291	4	120.3825	0.232	10	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[3x6]	C[6]	C[3x6]	3:3:2:	3:2:	4:3:2:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	119.8860	0.621	2	119.8860	0.385	2	120.2237	0.291	4	120.2237	0.291	4	120.3825	0.232	10	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[3x6]	C[6]	C[3x6]	3:4:2:	3:3:	3:4:2:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[6,6a]-3:C[3x6]-3:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	120.3825	0.232	10	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[3x6]	C[6]	C[3x6]	4:3:2:	3:2:	3:3:2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<1>,1|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	120.1985	0.296	2	120.1985	0.088	2	120.5162	0.302	4	120.5162	0.302	4	120.3825	0.232	10	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[3x6]	C[6]	C[3x6]	4:3:2:	3:2:	3:3:2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|Cl<1>,1|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	120.8340	0.643	2	120.8340	0.414	2	120.5162	0.302	4	120.5162	0.302	4	120.3825	0.232	10	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[3x6]	C[6]	C[3x6]	4:3:2:	3:3:	4:3:3:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-3:	C[5,3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<2>,4|H<1>,5|C<3>}	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	120.3825	0.232	10	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:2:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){3|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{2|C<2>}	117.8485	0.413	4	117.8485	0.171	4	117.8485	0.171	4	117.8485	0.171	4	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	112.7730	0.000	1	120.1370	34.094	4	120.1848	25.582	5	119.1922	9.738	13	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|Pd<4>,1|C<3>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	126.7090	0.000	1	120.1370	34.094	4	120.1848	25.582	5	119.1922	9.738	13	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{3|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){2|C<2>}	120.5330	2.133	2	120.1370	34.094	4	120.1848	25.582	5	119.1922	9.738	13	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	120.3760	0.000	1	120.3760	0.000	1	120.1848	25.582	5	119.1922	9.738	13	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]N)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|N<2>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]N)(N[6]C[6]){2|C<2>}	118.5237	1.118	6	118.5237	1.249	6	118.5237	1.249	6	119.1922	9.738	13	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-3:C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,1|P<3>,2|C<2>}	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|N<2>,1|N<3>,1|P<3>,2|C<2>}	119.0500	0.000	1	118.7165	0.222	2	118.7165	0.222	2	119.1922	9.738	13	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-3:C[6,6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|N<2>,1|N<3>,1|P<3>,2|C<2>}	118.3830	0.000	1	118.7165	0.222	2	118.7165	0.222	2	119.1922	9.738	13	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2{1|Cd<6>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|C<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|C<3>,1|H<1>,3|C<2>}	118.1540	0.000	1	118.1540	0.000	1	117.6350	0.539	2	117.9453	2.048	4	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2{1|Cd<6>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|C<3>,1|H<1>,3|C<2>}	117.1160	0.000	1	117.1160	0.000	1	117.6350	0.539	2	117.9453	2.048	4	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|Pd<4>,1|N<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){2|C<2>}	118.2555	2.285	2	118.2555	5.220	2	118.2555	5.220	2	117.9453	2.048	4	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:2:	3:4:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:S[6]-4:C[6]-2:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2{1|C<2>,1|C<3>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|S<4>}	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6]){1|C<2>,2|C<3>}	116.9500	0.000	1	116.9500	0.000	1	116.9500	0.000	1	116.9500	0.000	1	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:3:	3:3:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	120.4930	0.000	1	120.4930	0.000	1	120.4930	0.000	1	121.7693	1.335	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:3:	3:3:2:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){1|C<4>,2|C<2>,3|C<3>}	122.7440	0.000	1	122.4075	0.226	2	122.4075	0.226	2	121.7693	1.335	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:3:	3:3:2:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N){1|C<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){2|C<2>,4|C<3>}	122.0710	0.000	1	122.4075	0.226	2	122.4075	0.226	2	121.7693	1.335	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:3:	3:3:3:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	118.7200	0.000	1	118.7200	0.000	1	120.5560	6.742	2	120.1287	3.919	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:3:	3:3:3:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6]){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C){3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O){1|H<1>,2|C<3>}	122.3920	0.000	1	122.3920	0.000	1	120.5560	6.742	2	120.1287	3.919	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:3:	3:3:3:	C[6,6]-3:N[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	120.1287	3.919	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:2:2:	3:3:	3:4:2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:S[6]-4:C[6]-2:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6])	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2{1|C<2>,1|C<3>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]){1|C<3>,1|S<4>,4|C<2>}	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6]){1|C<2>,2|C<3>}	119.5810	0.000	1	119.5810	0.000	1	119.5810	0.000	1	119.5810	0.000	1	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,3|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<3>,2|C<2>}	124.6660	0.000	1	122.4460	9.857	2	121.4043	8.184	3	120.7975	6.929	4	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){4|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{3|C<2>}	120.2260	0.000	1	122.4460	9.857	2	121.4043	8.184	3	120.7975	6.929	4	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,1|C<4>,1|O<1>,1|O<2>}	119.3210	0.000	1	119.3210	0.000	1	121.4043	8.184	3	120.7975	6.929	4	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:2:2:	C[6]-3:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|N<2>,1|N<3>,1|P<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){2|C<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,2|C<3>}	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	120.7975	6.929	4	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|N<3>,1|O<1>,2|C<2>}	118.9990	0.000	1	119.8405	1.416	2	119.8405	1.416	2	119.8405	1.416	2	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|N<3>,1|O<1>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|O<2>}	120.6820	0.000	1	119.8405	1.416	2	119.8405	1.416	2	119.8405	1.416	2	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|H<1>,2|C<2>,2|C<3>}	119.0260	0.000	1	118.9680	1.132	3	118.9680	1.132	3	118.9680	1.132	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|C<2>,1|H<1>,3|C<3>}	120.0020	0.000	1	118.9680	1.132	3	118.9680	1.132	3	118.9680	1.132	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){2|C<2>,2|C<3>,2|H<1>}	117.8760	0.000	1	118.9680	1.132	3	118.9680	1.132	3	118.9680	1.132	3	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){1|C<4>,2|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<2>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<2>,3|C<3>}	114.8940	0.000	1	115.2345	0.232	2	115.2345	0.232	2	115.2345	0.232	2	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){2|C<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<3>,3|C<3>}	115.5750	0.000	1	115.2345	0.232	2	115.2345	0.232	2	115.2345	0.232	2	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:	3:3:2:	C[6,6]-3:B[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:B[6]-3:C[6]-2:	C[6,6](C[6,6]B[6]C[6])(B[6]C[6,6]I)(C[6]C[6])	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)	C[6,6](C[6,6]B[6]C[6])(B[6]C[6,6]I)(C[6]C[6])	C[6,6](C[6,6]B[6]C[6])(B[6]C[6,6]I)(C[6]C[6]){1|C<2>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H){1|B<3>,1|C<2>,1|C<3>,1|H<1>,1|I<1>}	C[6,6](C[6,6]B[6]C[6])(B[6]C[6,6]I)(C[6]C[6]){1|C<2>,1|H<1>,1|I<1>,2|C<3>}	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<4>,1|H<1>,4|C<3>}	119.7060	0.000	1	118.5650	1.249	3	118.5650	1.249	3	118.9770	1.061	5	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){2|H<1>,4|C<3>}	117.9945	0.739	2	118.5650	1.249	3	118.5650	1.249	3	118.9770	1.061	5	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|I<2>,2|C<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I){1|H<1>,2|C<3>}	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	118.9770	1.061	5	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	118.9770	1.061	5	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:4:2:	3:2:	3:2:2:	C[6,6]-3:S[6]-4:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6])	C[6](C[6,6]C[6,6]S[6])(C[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6]){1|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]){1|N<3>,2|C<2>,2|O<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2{1|C<2>,1|C<3>,1|N<3>,2|O<1>}	122.9370	0.000	1	122.9370	0.000	1	122.9370	0.000	1	122.9370	0.000	1	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6]){1|C<4>,3|H<1>,5|C<3>}	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	3:4:2:	3:3:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	4:3:2:	3:3:	3:2:3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H){1|O<2>,2|N<3>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|N<3>,4|C<3>}	116.2230	0.000	1	116.2230	0.000	1	116.2230	0.000	1	116.2230	0.000	1	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6,6]	C[6]	C[6,6]	4:3:2:	3:3:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	119.0537	5.549	51	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:1:	3:3:	3:3:2:	C[6,6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O)	C[6](C[6]C[6,6]O)(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]N){1|C<2>,1|C<3>,1|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|O<2>}	118.2570	0.000	1	118.2570	0.000	1	118.2570	0.000	1	118.2570	0.000	1	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:1:	3:3:	3:3:3:	C[6,6]-3:C[6]-2:H-1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	121.0747	0.281	3	121.0747	0.079	3	121.0747	0.079	3	120.9804	0.406	5	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:1:	3:3:	3:3:3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|C<3>,1|H<1>,1|I<2>,2|C<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I){1|H<1>,2|C<3>}	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	120.9804	0.406	5	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:1:	3:3:	3:3:3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]N)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]N){1|H<1>,2|C<3>}	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|H<1>,5|C<3>}	121.6760	0.000	1	121.6760	0.000	1	121.6760	0.000	1	120.9804	0.406	5	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:1:	3:3:	3:4:3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,3|H<1>}	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:1:	3:3:	4:3:3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	123.5670	0.000	1	123.5670	0.000	1	123.5670	0.000	1	123.5670	0.000	1	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN)	C[6](C[6]C[6,6]C)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN){3|C<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){2|C<2>}	118.6580	0.000	1	118.6580	0.000	1	118.6580	0.000	1	119.6405	1.185	4	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:N[6]-2:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC)	C[6](C[6]C[6,6]N)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]N)(N[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC){3|C<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]){1|C<3>,1|N<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]N)(N[6]C[6]){2|C<2>}	119.9680	1.065	3	119.9680	1.134	3	119.9680	1.134	3	119.6405	1.185	4	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:2:	3:3:	3:3:3:	C[6,6]-3:C[6]-2:I-2:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a])	C[6](C[6]C[6,6]I)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a]){1|C<3>,2|C<2>,2|H<1>}	C[6](C[6]C[6,6]I)(C[6]C[6]H){2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I){1|H<1>,2|C<3>}	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:3:	3:2:	3:3:3:	C[6,6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NPdC)	C[6](C[6]C[6,6]N)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NPdC){3|C<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]){1|C<3>,1|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){2|C<2>}	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:3:	3:3:	3:3:3:	C[6,6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NZnC)	C[6](C[6]C[6,6]N)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NZnC){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]N){2|C<3>,3|H<1>}	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	120.3120	3.169	15	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	2:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|B<3>,1|C<3>}	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H){1|B<3>,1|C<2>,1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|B<3>,1|C<3>}	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	119.4897	0.231	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	2:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](N[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]C[6]H)(H){2|C<3>}	118.9540	0.000	1	118.9540	0.000	1	119.2920	0.228	2	119.4897	0.231	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	2:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H)	C[6](N[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]H)(H){1|C<3>,1|N<3>}	119.6300	0.000	1	119.6300	0.000	1	119.2920	0.228	2	119.4897	0.231	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	2:3:4:	C[6]-2:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5a,6])(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6])(C[6]N[6]C)(H){1|C<3>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,2|N<2>}	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>}	120.0280	0.000	1	120.0280	0.000	1	120.0280	0.000	1	120.0280	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)	C[6](C[6]C[6,6a]H)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]Br)(H){2|C<3>}	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6])(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	119.5810	0.000	1	119.5810	0.000	1	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]B[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]B[5])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	120.6750	0.000	1	120.6750	0.000	1	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	119.8780	0.000	1	119.8780	0.000	1	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	121.8230	0.000	1	121.9988	0.090	5	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	121.5780	0.000	1	121.9988	0.090	5	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	122.1020	0.000	1	121.9988	0.090	5	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	122.3460	0.000	1	121.9988	0.090	5	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	122.1450	0.000	1	121.9988	0.090	5	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	123.2410	0.000	1	122.3125	1.724	2	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	121.3840	0.000	1	122.3125	1.724	2	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	123.2990	0.000	1	123.2990	0.000	1	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Se<4>,1|C<3>,1|H<1>}	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]H){1|H<1>,1|N<3>,1|N<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	122.8970	0.000	1	122.8970	0.000	1	121.7458	1.464	12	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	121.7250	0.000	1	121.7250	0.000	1	122.2770	0.392	4	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	121.8140	0.000	1	122.4330	0.766	2	122.2770	0.392	4	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){2|C<3>}	123.0520	0.000	1	122.4330	0.766	2	122.2770	0.392	4	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){2|C<3>}	122.5170	0.000	1	122.5170	0.000	1	122.2770	0.392	4	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	118.2210	0.000	1	118.2210	0.000	1	120.3055	1.983	4	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	121.2930	0.000	1	121.0155	0.154	2	120.3055	1.983	4	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	120.7380	0.000	1	121.0155	0.154	2	120.3055	1.983	4	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	120.9700	0.000	1	120.9700	0.000	1	120.3055	1.983	4	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>}	121.4040	0.000	1	121.4040	0.000	1	120.9689	0.549	8	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|C<3>}	120.1680	0.000	1	120.9067	0.604	7	120.9689	0.549	8	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|C<3>}	122.2210	0.000	1	120.9067	0.604	7	120.9689	0.549	8	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>}	120.2080	0.000	1	120.9067	0.604	7	120.9689	0.549	8	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|C<3>}	120.9375	0.535	4	120.9067	0.604	7	120.9689	0.549	8	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){2|C<3>}	119.5570	0.000	1	119.5570	0.000	1	119.6043	0.112	3	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H){2|C<3>}	119.2960	0.000	1	119.2960	0.000	1	119.6043	0.112	3	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){2|C<3>}	119.9600	0.000	1	119.9600	0.000	1	119.6043	0.112	3	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:1:	C[6]-2:C[6]-3:I-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(I)	C[6](C[5,6]C[5,6]2)(C[6]C[6]I)	C[6](C[6]C[5,6]H)(C[6]C[6]I)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]I){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]I)(H){1|C<3>,1|N<3>}	125.5210	0.000	1	125.5210	0.000	1	125.5210	0.000	1	121.3050	2.004	34	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[6](C[6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H){1|Nb<7>,1|P<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|P<4>}	122.2960	0.000	1	122.2960	0.000	1	122.2960	0.000	1	122.3290	0.002	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:3:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6])(C[6]C[6]N)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6])(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H){1|O<2>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC){1|C<3>,1|O<2>}	122.3620	0.000	1	122.3620	0.000	1	122.3620	0.000	1	122.3290	0.002	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	3:3:	3:3:4:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a])(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){2|C<3>}	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	4:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<8>,2|C<4>}	121.5930	0.000	1	121.5930	0.000	1	121.3660	0.103	2	121.3660	0.103	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:1:	4:3:	3:3:1:	C[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,2|C<4>}	121.1390	0.000	1	121.1390	0.000	1	121.3660	0.103	2	121.3660	0.103	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:2:	3:3:	2:3:2:	C[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:	C[6]-2:C[6]-3:O-2:	C[6](C[6]C[6,6a])(C[6]C[6]O)(OC)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O)	C[6](C[6]C[6,6a])(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a])(C[6]C[6]O)(OC){2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]O)(OC){2|C<3>}	120.1795	0.067	2	120.1795	0.005	2	120.1795	0.005	2	120.1795	0.005	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:2:	3:3:	2:3:4:	C[6]-2:C[6]-3:N-2:	C[6,6]-3:C[6]-3:	C[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6])(C[6]C[6]C)(NC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3)	C[6](C[6]C[6,6])(C[6]C[6]C)(NC){1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3){2|C<3>}	119.5060	0.000	1	119.5060	0.000	1	119.5060	0.000	1	119.5060	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:2:	3:3:	3:3:1:	C[6]-2:C[6]-3:O-2:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6])(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6])(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|S<2>}	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:2:	3:3:	3:3:2:	C[6]-2:C[6]-3:O-2:	C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6])(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6])(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>}	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:3:	3:3:	2:3:3:	C[6]-2:C[6]-3:C-3:	C[6,6]-3:C[6]-3:	C[6]-2:C[6]-3:N-3:	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH)	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH){1|C<3>,1|O<2>}	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	119.1400	3.277	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:3:	3:3:	2:3:3:	C[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH)	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH){1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N){1|C<2>,3|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH){2|C<3>}	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	119.1400	3.277	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:4:	3:3:	2:3:2:	C[6]-2:C[6]-3:C-4:	C[6,6]-3:C[6]-3:	C[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6](C[6]C[6,6])(C[6]C[6]C)(NC)	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]C)(NC){1|C<3>,1|O<2>}	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	2:3:4:	4:3:	3:3:1:	C[6]-2:C[6]-3:C-4:	C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,2|C<4>}	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	2:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	2:3:	3:4:3:	C[6]-3:C[6]-2:H-1:	N[6]-2:C[6]-3:	C[6,6a]-3:C-4:C[6]-3:	C[6](C[6]C[6,6a]C)(C[6]N[6])(H)	C[6](N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H){2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	120.6560	0.000	1	120.6560	0.000	1	120.6560	0.000	1	120.6560	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6])	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<2>,1|H<1>}	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:2:2:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6]Cl)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])(Cl){1|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6])(OC){1|C<2>}	120.6260	0.699	2	120.6260	0.488	2	120.6260	0.488	2	120.6260	0.488	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:2:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){2|C<2>}	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	119.9890	0.000	1	119.9890	0.000	1	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<2>}	120.1800	0.000	1	120.1800	0.000	1	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|P<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>}	122.0150	0.000	1	121.1493	0.721	3	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	120.7165	0.564	2	121.1493	0.721	3	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<2>}	120.3150	0.000	1	120.1298	5.450	12	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>}	120.5040	0.684	2	120.1298	5.450	12	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|N<3>}	119.5150	0.000	1	120.1298	5.450	12	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|P<4>}	119.5110	0.000	1	120.1298	5.450	12	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>}	121.6513	3.041	4	120.1298	5.450	12	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>}	117.1785	1.992	2	120.1298	5.450	12	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.2470	0.000	1	120.1298	5.450	12	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<2>}	118.8430	0.000	1	118.8430	0.000	1	120.2232	3.884	18	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	117.1680	0.000	1	117.1680	0.000	1	118.4824	1.143	8	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|N<2>}	119.7390	0.000	1	118.6701	1.004	7	118.4824	1.143	8	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>}	118.7075	0.890	2	118.6701	1.004	7	118.4824	1.143	8	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>}	117.4040	0.000	1	118.6701	1.004	7	118.4824	1.143	8	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>}	118.7110	1.113	3	118.6701	1.004	7	118.4824	1.143	8	119.6876	3.633	26	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:2:	C[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]Pd)(C[6]C[6]C)(CC)	C[6](C[6]C[6]C)(C[6]C[6])(C){1|Pd<4>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]Pd)(C[6]C[6]C)(CC){1|C<2>}	119.2140	0.000	1	119.2140	0.000	1	119.2140	0.000	1	121.3304	8.358	9	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:2:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6]Cl)(C[6]C[6]Fe)(CN)	C[6](C[6]C[6]C)(C[6]C[6])(Cl){1|Fe<6>,1|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]Fe)(CN){1|C<2>}	121.6980	0.000	1	121.6980	0.000	1	121.6980	0.000	1	121.3304	8.358	9	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Te)(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Te<5>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Te)(C[6]C[6]H)(CN){1|C<2>,1|H<1>}	121.8880	0.000	1	121.8880	0.000	1	121.8880	0.000	1	121.3304	8.358	9	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<2>,1|H<1>}	120.8170	0.875	2	120.8170	0.766	2	120.8170	0.766	2	121.3304	8.358	9	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:N-3:C[6]-2:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6]){1|C<2>,1|H<1>}	120.4700	0.000	1	120.4700	0.000	1	120.4700	0.000	1	121.3304	8.358	9	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<2>}	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	121.3304	8.358	9	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6])(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	128.4860	0.000	1	128.4860	0.000	1	128.4860	0.000	1	121.3304	8.358	9	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|H<1>,1|N<2>}	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	121.3304	8.358	9	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	119.4352	1.411	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(NCuC)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NCuC){1|C<2>,1|H<1>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	119.4352	1.411	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6])(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|N<2>,3|H<1>}	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	119.4352	1.411	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	N[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6])(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|N<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<2>,2|C<3>,2|H<1>}	118.1970	0.652	2	118.1970	0.425	2	118.1970	0.425	2	119.4352	1.411	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|C<2>,1|C<4>,2|C<3>}	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](BC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|B<4>,1|C<3>}	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<2>}	123.0135	2.562	2	123.0135	6.563	2	123.0135	6.563	2	121.7610	4.308	6	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CHH){1|C<2>,1|H<1>}	121.7240	0.000	1	121.7240	0.000	1	121.7240	0.000	1	121.7610	4.308	6	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H){2|C<3>,3|C<2>,3|H<1>}	123.4870	0.000	1	123.4870	0.000	1	123.4870	0.000	1	121.7610	4.308	6	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](PC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2C[6])(C[6]C[6]H)2{1|C<2>,1|H<1>}	119.4860	0.000	1	119.4860	0.000	1	119.6640	0.063	2	121.7610	4.308	6	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:2:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	C[6](PC[6a]2Ru)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Ru)(C[6]C[6]H)2{1|C<2>,1|H<1>}	119.8420	0.000	1	119.8420	0.000	1	119.6640	0.063	2	121.7610	4.308	6	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:D-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:D-1:	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]D)(C[6]N[6]D)	C[6](C[6]C[6]D)(C[6]N[6])(D)	C[6](C[6]C[6]D)(C[6]C[6])(D){1|D<1>,1|N<3>}	C[6](C[6]C[6]D)(C[6]N[6]D){1|Pd<4>,1|C<2>,1|D<1>}	C[6](C[6]C[6]D)(C[6]N[6])(D){1|Pd<4>,1|C<3>}	117.4320	0.000	1	117.4320	0.000	1	117.4320	0.000	1	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:D-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-2:D-1:	C[6](C[6]C[6]D)(C[6]N[6])(D)	C[6](N[6]C[6]Pd)(C[6]C[6]D)	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]D)(C[6]N[6])(D){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]D){1|C<2>,2|D<1>}	C[6](C[6]C[6]D)(C[6]C[6])(D){1|D<1>,1|N<3>}	119.6660	0.000	1	119.6660	0.000	1	119.6660	0.000	1	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	121.2270	0.000	1	121.2270	0.000	1	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	118.3400	0.000	1	119.0336	0.673	5	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	119.5710	0.000	1	119.0336	0.673	5	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|O<1>}	119.8800	0.000	1	119.0336	0.673	5	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	117.9930	0.000	1	119.0336	0.673	5	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Te<5>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Te<5>,1|C<3>}	119.3840	0.000	1	119.0336	0.673	5	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<4>}	C[6](C[6]C[6]Cu)(C[6]C[6]H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|C<4>}	119.6680	0.000	2	119.6680	0.000	2	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.6860	0.000	1	120.6860	0.000	1	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	121.8050	0.000	1	121.8050	0.000	1	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.2740	0.680	2	120.2740	0.463	2	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	119.9360	0.000	1	119.9360	0.000	1	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	121.0300	0.000	1	120.0699	1.947	16	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>}	121.2740	0.000	1	120.0699	1.947	16	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<2>}	118.9540	0.000	1	120.0699	1.947	16	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	120.1850	0.004	2	120.0699	1.947	16	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	119.9786	1.678	10	120.0699	1.947	16	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|Sn<5>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<5>,1|C<3>}	119.7050	0.000	1	120.0699	1.947	16	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<5>,1|C<3>}	C[6](C[6]C[6]Sn)(C[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	119.3400	0.000	1	119.3400	0.000	1	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Te)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Te<5>,1|C<3>}	C[6](C[6]C[6]Te)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	121.3870	0.000	1	121.3870	0.000	1	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	119.8350	0.000	1	119.8350	0.000	1	120.0121	1.455	32	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6])(O){1|C<3>,1|H<1>}	120.9660	0.000	2	120.9660	0.000	2	120.9660	0.000	2	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>}	120.3680	0.000	1	120.3680	0.000	1	119.7321	4.629	8	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|S<2>}	117.7270	0.000	1	117.7270	0.000	1	119.7321	4.629	8	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){2|C<3>}	118.5630	0.000	1	119.9603	5.533	6	119.7321	4.629	8	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>}	121.1657	3.065	3	119.9603	5.533	6	119.7321	4.629	8	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>}	118.8510	0.318	2	119.9603	5.533	6	119.7321	4.629	8	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>}	119.0410	0.000	1	119.2130	0.269	3	119.2130	0.269	3	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<3>}	118.8020	0.000	1	119.2130	0.269	3	119.2130	0.269	3	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<3>}	119.7960	0.000	1	119.2130	0.269	3	119.2130	0.269	3	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:1:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|O<1>}	117.2720	0.000	2	117.2720	0.000	2	117.2720	0.000	2	119.7848	2.118	49	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(NP[5])	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6])(NP[5]){1|C<3>,1|H<1>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	118.9030	0.000	1	118.9030	0.000	1	118.9030	0.000	1	118.9165	1.129	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:Se-3:	C[6](C[6]C[6]Se)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(SeRe2)	C[6](C[6]C[6]Se)(C[6]C[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|Se<3>,1|C<2>}	C[6](C[6]C[6]H)(C[6]C[6])(SeRe2){1|C<3>}	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	118.9165	1.129	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]N[6])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(NCO)	C[6](C[6]C[6]N)(C[6]N[6])(H){1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H){1|C<2>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NCO){1|C<4>,1|N<3>}	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	118.9165	1.129	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:3:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	118.9165	1.129	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:4:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	C[6](C[6]C[6]F)(C[6]C[6])(CCCO)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<2>,1|F<1>}	C[6](C[6]C[6]F)2{1|C<2>,1|C<4>}	C[6](C[6]C[6]F)(C[6]C[6])(CCCO){1|C<3>}	124.3180	0.000	1	124.3180	0.000	1	124.3180	0.000	1	122.4481	3.676	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<2>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>}	121.7280	0.000	1	121.7280	0.000	1	121.3093	0.185	3	122.4481	3.676	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,1|H<1>}	121.3310	0.000	1	121.3310	0.000	1	121.3093	0.185	3	122.4481	3.676	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(CHHP)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHP){1|C<3>}	120.8690	0.000	1	120.8690	0.000	1	121.3093	0.185	3	122.4481	3.676	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,1|H<1>}	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	122.4481	3.676	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:2:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	124.4635	0.050	2	124.4635	0.003	2	124.4635	0.003	2	122.4481	3.676	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	121.3040	0.000	1	121.3040	0.000	1	121.6448	0.200	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){2|C<3>}	122.0300	0.038	2	122.0300	0.001	2	121.6448	0.200	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br){2|H<1>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.2150	0.000	1	121.2150	0.000	1	121.6448	0.200	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|C<3>,1|H<1>}	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	120.8253	0.793	3	121.1875	0.547	6	121.1875	0.547	6	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	121.9010	0.000	1	121.1875	0.547	6	121.1875	0.547	6	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|P<4>}	120.8700	0.000	1	121.1875	0.547	6	121.1875	0.547	6	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){2|C<3>}	121.8780	0.000	1	121.1875	0.547	6	121.1875	0.547	6	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:D-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]D)(C[6]N[6]D)	C[6](C[6]C[6]D)(C[6]N[6]D)(D)	C[6](C[6]C[6]D)(C[6]C[6])(D){1|N<3>,2|D<1>}	C[6](C[6]C[6]D)(C[6]N[6]D){1|C<3>,1|C<4>,1|D<1>}	C[6](C[6]C[6]D)(C[6]N[6]D)(D){1|C<3>,1|C<4>}	119.3370	0.000	1	119.3370	0.000	1	119.2740	0.008	2	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:D-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]D)2	C[6](C[6]C[6]D)2(D)	C[6](C[6]C[6]D)(C[6]C[6])(D){1|C<3>,2|D<1>}	C[6](C[6]C[6]D)2{1|C<3>,1|D<1>,1|W<9>}	C[6](C[6]C[6]D)2(D){1|C<3>,1|W<9>}	119.2110	0.000	1	119.2110	0.000	1	119.2740	0.008	2	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:D-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:D-1:	C[6](C[6]N[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]D)2	C[6](N[6]C[6]Pd)(C[6]C[6]D)(D)	C[6](C[6]N[6]D)(C[6]C[6])(D){1|Pd<4>,1|C<2>,1|D<1>}	C[6](C[6]C[6]D)2{1|D<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]D)(D){1|C<3>}	119.1870	0.000	1	119.1870	0.000	1	119.1870	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	C[6](C[6]C[6]C)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2{1|C<3>,2|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	124.0640	1.444	2	124.0640	2.085	2	119.2514	9.111	17	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2{1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(F){1|C<3>,1|C<4>}	126.8770	0.000	1	126.8770	0.000	1	119.2514	9.111	17	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2{1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>}	118.0191	1.175	14	118.0191	1.381	14	119.2514	9.111	17	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	123.0940	0.000	1	123.1817	0.186	3	125.9220	8.130	7	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|P<4>}	123.2255	0.600	2	123.1817	0.186	3	125.9220	8.130	7	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	127.9772	1.730	4	127.9772	2.994	4	125.9220	8.130	7	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6,6])(H)	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6,6])(H){3|C<3>}	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	122.0980	0.000	1	122.0980	0.000	1	122.0980	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6])(H)	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6,6])(H){1|P<4>,2|C<3>}	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H){1|H<1>,1|S<1>,2|C<3>,2|S<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6a])(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6a])(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.1520	0.000	1	118.1520	0.000	1	120.3710	1.933	5	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|N<2>,2|C<3>}	121.4660	0.000	1	121.1450	0.500	3	120.3710	1.933	5	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.9845	0.920	2	121.1450	0.500	3	120.3710	1.933	5	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.2680	0.000	1	120.2680	0.000	1	120.3710	1.933	5	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>}	121.0870	0.000	1	121.0870	0.000	1	122.0023	0.454	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|O<2>,2|C<3>}	122.2630	0.000	1	122.3073	0.123	3	122.0023	0.454	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,3|C<3>}	121.9810	0.000	1	122.3073	0.123	3	122.0023	0.454	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.6780	0.000	1	122.3073	0.123	3	122.0023	0.454	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){3|C<3>}	119.3350	0.000	1	119.3350	0.000	1	120.2332	0.847	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>}	121.1050	0.000	1	121.1050	0.000	1	120.2332	0.847	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	119.5490	0.000	1	119.5490	0.000	1	120.2332	0.847	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6]C[6,6]N)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.9440	0.000	1	120.9440	0.000	1	120.2332	0.847	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|S<2>,3|C<3>}	120.7870	0.000	1	120.7870	0.000	1	120.2032	0.731	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	119.2970	0.000	1	119.2970	0.000	1	120.2032	0.731	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){3|C<3>}	121.0640	0.000	1	121.0640	0.000	1	120.2032	0.731	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a]P)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|P<4>,2|C<3>}	C[6](C[6]C[6,6a]P)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.6650	0.000	1	119.6650	0.000	1	120.2032	0.731	4	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>}	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	121.2150	0.000	1	120.6260	0.694	2	120.1387	1.059	3	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	120.0370	0.000	1	120.6260	0.694	2	120.1387	1.059	3	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	119.1640	0.000	1	119.1640	0.000	1	120.1387	1.059	3	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.9590	0.000	1	119.9590	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.5240	0.000	1	120.9720	0.401	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	121.4200	0.000	1	120.9720	0.401	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	121.7690	0.000	1	121.7480	0.001	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	121.7270	0.000	1	121.7480	0.001	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.2740	0.000	1	120.2217	0.218	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|Pd<4>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Pd<4>,1|C<3>}	119.7310	0.000	1	120.2217	0.218	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.6600	0.000	1	120.2217	0.218	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<3>,1|C<2>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>}	119.9300	0.078	2	119.8832	0.055	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.1080	0.000	1	119.8832	0.055	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.7770	0.302	3	119.8832	0.055	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Au<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Au)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>}	120.7840	0.000	1	120.7840	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]B)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.3390	0.000	1	120.3390	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	120.5220	0.485	2	120.1112	0.351	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	119.4320	0.000	1	120.1112	0.351	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	119.9690	0.000	1	120.1112	0.351	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.2764	1.761	10	120.2947	2.851	27	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	119.3538	0.914	5	120.2947	2.851	27	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<3>}	118.2810	0.000	1	120.2947	2.851	27	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.9220	1.734	11	120.2947	2.851	27	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	119.9440	0.000	1	119.9440	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.1640	0.000	1	120.1640	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	120.6550	0.000	1	120.6550	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.9010	0.000	1	120.6470	0.052	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.5623	0.188	3	120.6470	0.052	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	119.9970	0.000	1	119.9970	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	122.1310	0.000	1	122.1310	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	118.3660	0.000	1	119.6705	3.403	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.9750	0.000	1	119.6705	3.403	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>}	120.6570	0.307	2	120.3361	0.400	28	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.3115	0.648	26	120.3361	0.400	28	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<2>}	121.0635	1.673	4	120.6347	2.150	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.0420	0.000	1	120.6347	2.150	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.5120	0.000	1	120.6347	2.150	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>}	123.6860	0.000	1	123.6860	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>}	121.7360	0.000	1	121.0675	0.894	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>}	120.3990	0.000	1	121.0675	0.894	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>}	117.4800	0.000	1	119.4029	2.561	7	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>}	119.3240	0.000	1	119.4029	2.561	7	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	119.7640	0.000	1	119.4029	2.561	7	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>}	118.9577	1.020	3	119.4029	2.561	7	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>}	122.3790	0.000	1	119.4029	2.561	7	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<2>,1|C<3>,1|N<3>}	119.0720	0.000	1	119.0720	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>}	120.0500	0.000	1	120.0500	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>}	119.4303	0.769	4	119.4066	0.446	5	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){2|C<3>}	119.3120	0.000	1	119.4066	0.446	5	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>}	119.2280	0.000	1	119.4920	0.139	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>}	119.7560	0.000	1	119.4920	0.139	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,2|C<3>}	119.5870	0.000	1	119.5870	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,3|C<3>}	119.7670	0.000	1	119.7670	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>}	118.8670	0.000	1	119.4400	0.148	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>}	119.7010	0.000	1	119.4400	0.148	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>}	119.5960	0.000	2	119.4400	0.148	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.2225	0.308	2	121.2225	0.095	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.9570	0.074	2	118.9570	0.005	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.1120	0.000	1	120.1120	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|H<1>,3|C<3>}	120.1635	0.490	2	120.0510	0.097	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.9385	0.019	2	120.0510	0.097	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.1860	0.833	2	120.1860	0.694	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.9205	0.926	2	119.9205	0.857	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	119.4590	0.000	1	120.4711	2.991	55	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.8501	0.864	35	120.4711	2.991	55	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	123.4635	2.620	2	120.4711	2.991	55	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	118.9460	0.000	1	120.4711	2.991	55	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	120.3740	0.000	1	120.4711	2.991	55	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	119.4170	0.000	1	120.4711	2.991	55	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.8595	2.261	14	120.4711	2.991	55	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	119.4670	0.000	1	119.4670	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Ge<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>}	118.3810	0.000	1	118.3810	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2{1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Pd<4>,1|C<3>}	120.7730	0.000	1	119.6607	12.996	18	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	119.8080	0.000	1	119.6607	12.996	18	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	119.6070	0.048	2	119.6607	12.996	18	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	119.3967	4.429	12	119.6607	12.996	18	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){2|C<3>}	120.6680	1.001	2	119.6607	12.996	18	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<4>}	120.3330	0.000	1	120.4805	0.941	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	121.6595	0.426	2	120.4805	0.941	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	119.7437	0.214	3	120.4805	0.941	6	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>}	120.4680	0.250	2	120.3230	0.397	33	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	120.4230	0.338	2	120.3230	0.397	33	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|O<2>}	119.3310	0.000	1	120.3230	0.397	33	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	120.3409	0.652	28	120.3230	0.397	33	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|S<2>}	119.3600	0.000	1	120.2157	0.549	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	120.6435	0.026	2	120.2157	0.549	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<3>}	120.2770	0.020	2	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>}	118.9204	1.097	5	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Be<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Be<3>,1|C<3>}	118.9530	0.000	1	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	119.8601	1.806	18	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	119.2952	1.168	5	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	119.4640	0.824	3	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<3>}	121.3440	0.000	1	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	119.9443	0.806	34	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<2>}	118.9815	0.374	2	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<4>}	118.5190	0.000	1	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.0629	2.458	54	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Ga<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ga<3>,1|C<3>}	119.0980	0.000	1	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Ge<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ge<4>,1|C<3>}	120.4180	0.000	1	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>}	119.8700	1.684	16	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sb<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Sb<5>,1|C<3>}	120.3015	1.043	2	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|C<3>}	119.6790	0.682	2	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	119.3511	1.704	9	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Sn<4>,1|C<3>}	120.2835	0.120	2	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Sn<5>,1|C<3>}	119.4130	0.000	1	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2{1|Al<7>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Al<7>,1|C<3>,1|H<2>}	120.5070	0.000	1	119.8623	3.103	161	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H){2|C<3>}	123.0170	0.000	1	123.0170	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>}	119.2610	0.000	1	119.9813	0.391	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	120.3415	0.053	2	119.9813	0.391	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Si<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>}	120.1570	0.000	1	120.1570	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.6560	0.597	2	119.6785	0.291	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.7010	0.717	2	119.6785	0.291	4	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Te)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Te<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]Te)(C[6]C[6]H)(H){2|C<3>}	119.3520	0.000	1	119.3520	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|O<2>,3|C<3>}	120.7340	0.000	1	120.7340	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>}	118.3580	0.426	2	118.9063	0.993	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H){1|Pd<4>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>}	120.0030	0.000	1	118.9063	0.993	3	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	117.3040	0.000	1	117.3040	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Se)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Se<3>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>}	120.2525	0.056	2	120.2525	0.003	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Sn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.7190	0.000	1	119.7190	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>}	118.4350	0.000	1	119.5110	2.316	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>}	120.5870	0.000	1	119.5110	2.316	2	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Si<5>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>}	119.0120	0.000	1	119.0120	0.000	1	120.0736	2.625	429	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:Br-1:	C[6](C[6]N[6]Br)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>}	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	118.5480	0.000	1	118.5480	0.000	1	119.4782	2.767	5	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>}	122.4260	0.000	1	119.7108	3.329	4	119.4782	2.767	5	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	118.8057	0.279	3	119.7108	3.329	4	119.4782	2.767	5	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){2|C<3>}	119.3950	0.000	1	119.3950	0.000	1	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){2|C<3>}	118.5980	0.000	1	118.5980	0.000	1	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){2|C<3>}	118.8330	0.000	1	117.8717	1.027	3	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.3910	0.817	2	117.8717	1.027	3	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){2|C<3>}	119.3300	0.000	1	119.3300	0.000	1	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){2|C<3>}	118.4760	0.000	1	118.1730	0.184	2	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	117.8700	0.000	1	118.1730	0.184	2	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){2|C<3>}	119.6345	1.283	2	119.6345	1.647	2	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){2|C<3>}	119.2120	0.264	2	119.2120	0.070	2	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){2|C<3>}	118.3650	0.000	1	118.3650	0.000	1	118.7186	0.820	13	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	119.1440	0.000	1	119.1440	0.000	1	119.1440	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6])(H)	C[6](N[6]C[6,6]Cd)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6])(H){1|Cd<6>,1|C<2>,1|C<3>}	C[6](N[6]C[6,6]Cd)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>}	118.7205	0.414	2	118.7205	0.171	2	118.7205	0.171	2	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6])(H){1|Cu<5>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.6935	0.226	2	119.6935	0.051	2	119.9550	0.231	3	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6])(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6])(H){1|Pt<4>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.4780	0.000	1	120.4780	0.000	1	119.9550	0.231	3	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>}	119.6090	0.117	2	118.8075	0.670	6	118.7658	0.775	10	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	118.7920	0.000	1	118.8075	0.670	6	118.7658	0.775	10	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	118.2783	0.778	3	118.8075	0.670	6	118.7658	0.775	10	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	118.2100	0.000	1	118.2100	0.000	1	118.7658	0.775	10	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	119.2970	0.000	1	119.2970	0.000	1	118.7658	0.775	10	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,1|N<3>}	117.4280	0.000	1	117.4280	0.000	1	118.7658	0.775	10	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	119.8780	0.000	1	119.8780	0.000	1	118.7658	0.775	10	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:I-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(I)	C[6](C[6]C[6]H)(C[6]C[6]I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6])(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|N<3>}	120.4080	0.000	1	120.4080	0.000	1	120.4080	0.000	1	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(O){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	115.9440	0.000	1	115.9440	0.000	1	115.2405	0.990	2	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:1:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(H){3|C<3>}	114.5370	0.000	1	114.5370	0.000	1	115.2405	0.990	2	120.0777	3.413	529	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]Br)2(OH)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	121.7010	0.000	1	121.7010	0.000	1	121.5745	0.032	2	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]S)	C[6](C[6]C[6]Br)2(OH)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Br)(C[6]C[6]S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	121.4480	0.000	1	121.4480	0.000	1	121.5745	0.032	2	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>}	120.7350	0.000	1	120.7350	0.000	1	118.9260	6.545	2	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|C<2>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>}	117.1170	0.000	1	117.1170	0.000	1	118.9260	6.545	2	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>}	120.3810	0.000	1	120.3810	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>}	120.0930	0.000	1	120.0930	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	119.4520	0.000	1	119.4520	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OP)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OP){1|C<3>,1|H<1>}	118.1170	0.000	1	118.1170	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|O<2>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,1|S<3>}	120.6050	0.000	1	120.6050	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(OC)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]P)(OC){1|C<3>,1|H<1>}	119.0500	0.000	1	119.0500	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	118.2740	1.451	2	118.2740	2.105	2	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(OP[6])	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OP[6]){1|C<3>,1|H<1>}	118.8600	0.000	1	118.8600	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a]){1|H<1>,3|C<3>}	120.2560	0.000	1	120.2560	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]N[4])(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[4])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	120.5120	0.000	1	120.5120	0.000	1	119.4431	1.155	11	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi){1|C<3>}	119.4820	0.000	1	119.4820	0.000	1	120.1160	0.773	6	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(SMo)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(SMo){1|C<3>,1|H<1>}	120.3490	0.000	1	120.3490	0.000	1	120.1160	0.773	6	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<3>}	121.5240	0.000	1	120.2485	3.254	2	120.1160	0.773	6	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<3>,1|H<1>}	118.9730	0.000	1	120.2485	3.254	2	120.1160	0.773	6	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(SC[6,6])	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC[6,6]){1|C<3>,1|H<1>}	119.9480	0.000	1	119.9480	0.000	1	120.1160	0.773	6	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(SPd)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SPd){1|C<3>,1|H<1>}	120.4200	0.000	1	120.4200	0.000	1	120.1160	0.773	6	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Se-2:	C[6](C[6]C[6]Se)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(SeC[6a])	C[6](C[6]C[6]Se)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(SeC[6a]){1|C<3>,1|H<1>}	120.9875	1.862	2	120.9875	3.466	2	120.9875	3.466	2	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|Te<2>,1|H<1>,3|C<3>}	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:C[6]-2:	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	118.8070	0.000	1	118.8070	0.000	1	118.8070	0.000	1	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<3>}	119.4820	0.000	1	119.4820	0.000	1	119.4820	0.000	1	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:2:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6a]C[6])(C[6]N[6])(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]N[6])(H){1|Mn<6>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	119.9140	0.000	1	119.9140	0.000	1	119.9140	0.000	1	119.8270	1.453	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]N)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]C[6])(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){3|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	119.0280	0.000	1	119.0280	0.000	1	119.0280	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(CGe[6]O)	C[6](C[6]C[6]C)(C[6]C[6])(C){1|C<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]C)2{2|C<3>}	C[6](C[6]C[6]C)2(CGe[6]O){1|C<3>}	119.7570	0.774	2	119.7570	0.598	2	119.7570	0.598	2	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Si-3:	C[6](C[6]C[6]Si)(C[6]C[6])(C)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(SiIr2)	C[6](C[6]C[6]Si)(C[6]C[6])(C){1|C<2>,2|C<1>}	C[6](C[6]C[6]C)2{1|Si<3>,1|C<3>}	C[6](C[6]C[6]C)2(SiIr2){1|C<3>}	120.0270	0.386	2	120.0270	0.149	2	120.0270	0.149	2	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(Cl){1|C<2>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH){1|C<3>}	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	123.4300	0.000	1	123.4300	0.000	1	121.6580	6.280	2	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](CC[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](CC[6a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	119.8860	0.000	1	119.8860	0.000	1	121.6580	6.280	2	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{2|H<1>,4|C<3>}	118.9090	0.485	2	118.9090	0.235	2	119.2133	0.235	4	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,3|C<3>}	119.7420	0.000	1	119.7420	0.000	1	119.2133	0.235	4	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[5]N[5]S[5])(C[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[5]N[5]S[5])(C[6]C[6]Ir)(C[6]C[6]H){1|H<1>,3|C<3>}	119.2930	0.000	1	119.2930	0.000	1	119.2133	0.235	4	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.3680	0.000	1	119.3680	0.000	1	119.5170	3.116	3	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.8310	0.000	1	117.8310	0.000	1	119.5170	3.116	3	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|H<1>,3|C<3>}	121.3520	0.000	1	121.3520	0.000	1	119.5170	3.116	3	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	120.3630	0.000	1	120.3630	0.000	1	120.3630	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]N)(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NRh2)	C[6](C[6]C[6,6a]N)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NRh2){1|N<3>,3|C<3>}	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	118.5300	0.000	1	118.5300	0.000	1	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|C<3>,1|H<1>}	121.9490	0.000	1	121.9490	0.000	1	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	120.4640	0.000	1	120.4640	0.000	1	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>}	119.8925	0.958	2	119.8925	0.918	2	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	121.8550	0.000	1	121.8550	0.000	1	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>}	119.0470	0.000	1	119.0585	0.000	2	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>}	119.0700	0.000	1	119.0585	0.000	2	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN){1|C<3>,1|H<1>}	122.3520	0.000	1	122.3520	0.000	1	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(COO){1|C<3>,1|H<1>}	120.1490	0.000	1	120.1490	0.000	1	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	121.2005	0.401	2	121.2005	0.161	2	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>}	119.8900	0.000	1	119.8900	0.000	1	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<3>}	118.5920	0.000	1	119.9057	2.453	3	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>}	120.5625	1.522	2	119.9057	2.453	3	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	122.9335	4.713	2	122.9335	22.211	2	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCN){1|C<3>,1|H<1>}	119.5645	0.431	2	119.5645	0.185	2	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CC[3]H)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[3]H){1|C<3>,1|H<1>}	121.1710	0.000	1	121.1710	0.000	1	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>}	120.5615	1.537	2	120.2860	1.408	3	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,1|H<1>}	119.7350	0.000	1	120.2860	1.408	3	120.5097	2.785	24	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,2|N<3>,3|C<3>}	120.5540	0.000	1	120.5540	0.000	1	121.3064	0.474	5	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2{2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,2|H<1>,3|C<3>}	121.3710	0.436	2	121.2250	0.159	3	121.3064	0.474	5	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|Te<2>,1|C<2>,2|C<3>,2|H<1>}	120.9330	0.000	1	121.2250	0.159	3	121.3064	0.474	5	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Te)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6])(H){1|Te<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]Te)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	122.3030	0.000	1	122.3030	0.000	1	121.3064	0.474	5	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	118.4960	0.000	1	118.6945	0.079	2	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	118.8930	0.000	1	118.6945	0.079	2	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	120.7260	0.000	1	120.7260	0.000	1	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|H<1>}	120.7820	0.000	1	120.7820	0.000	1	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>}	120.6590	0.000	1	120.6590	0.000	1	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH){1|C<3>}	120.3630	0.000	1	120.3630	0.000	1	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC){1|C<3>,1|H<1>}	119.0280	0.000	1	119.0280	0.000	1	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|C<3>,1|H<1>}	120.1470	0.000	1	120.1470	0.000	1	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	118.3440	0.000	1	118.3440	0.000	1	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(NC[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6]2){1|C<3>,1|H<1>}	118.9650	0.000	2	118.9650	0.000	2	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(NC[6]Cu)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6]Cu){1|C<3>,1|H<1>}	119.9310	0.000	1	119.9310	0.000	1	119.6082	0.837	12	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]I)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6])(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]I){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.2000	0.000	1	120.2000	0.000	1	120.2000	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|H<1>,2|O<1>,3|C<3>}	121.1480	0.000	1	121.1480	0.000	1	121.1480	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6]C)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(PC[6]C){1|C<3>,1|H<1>}	119.6440	0.000	1	119.6440	0.000	1	119.6440	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	118.7030	0.000	1	118.7030	0.000	1	119.6063	2.181	6	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	118.8330	0.000	1	118.8330	0.000	1	119.6063	2.181	6	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	118.1590	0.000	1	118.1590	0.000	1	119.6063	2.181	6	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	122.2650	0.000	1	122.2650	0.000	1	119.6063	2.181	6	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,3|C<3>}	119.8390	0.468	2	119.8390	0.219	2	119.6063	2.181	6	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){3|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	117.8500	0.000	1	117.8500	0.000	1	117.8500	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|C<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	120.6350	0.000	1	120.6350	0.000	1	120.4005	0.110	2	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<4>,2|H<1>,3|C<3>}	120.1660	0.000	1	120.1660	0.000	1	120.4005	0.110	2	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6])(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Ga-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]Ga)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](GaC[6a]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]Ga)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Ga<3>,1|C<3>,1|H<1>}	C[6](GaC[6a]N[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[5])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](N[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]N[5])(C[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5]C[5]N[5])(C[6]C[6]H)2{1|C<2>,2|C<3>,2|H<1>}	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|H<1>,5|C<3>}	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>}	119.5060	0.000	1	119.5060	0.000	1	119.0947	0.485	3	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	119.4870	0.000	1	119.4870	0.000	1	119.0947	0.485	3	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>}	118.2910	0.000	1	118.2910	0.000	1	119.0947	0.485	3	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6a]C[6])(C[6]C[6])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H){3|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|N<3>}	118.5810	0.000	1	118.5810	0.000	1	118.5810	0.000	1	120.0242	1.992	80	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](C[6]C[6]F)2(CCoHN)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]F)2(CCoHN){1|C<3>,1|H<1>}	124.9690	0.000	1	124.9690	0.000	1	124.5435	0.362	2	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2{1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO){1|C<3>,1|F<1>}	124.1180	0.000	1	124.1180	0.000	1	124.5435	0.362	2	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:As-4:	C[6](C[6]C[6]As)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(AsO3)	C[6](C[6]C[6]As)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(AsO3){1|C<3>,1|H<1>}	119.3650	0.000	1	119.3650	0.000	1	119.3650	0.000	1	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>}	122.9205	1.377	4	122.9205	1.897	4	122.9205	1.897	4	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>}	122.2210	0.000	1	122.2210	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	121.0190	0.000	1	120.8240	0.076	2	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	120.6290	0.000	1	120.8240	0.076	2	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCuCH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCuCH){1|C<3>,1|H<1>}	121.5190	0.000	1	121.5190	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHS)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHS){1|C<3>,1|H<1>}	119.9560	0.000	1	119.9560	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	121.5435	0.650	2	121.5435	0.422	2	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC[6]CO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6]CO){1|C<3>,1|H<1>}	120.5230	0.000	1	120.5230	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(CC[6]HO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6]HO){1|C<3>,1|H<1>}	121.9050	0.000	1	121.9050	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	120.2890	0.000	1	120.7973	0.215	3	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>}	121.1970	0.000	1	120.7973	0.215	3	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	120.9060	0.000	1	120.7973	0.215	3	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	121.7530	0.441	4	121.7530	0.194	4	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	119.8480	0.000	1	119.8480	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	123.7750	0.000	1	123.7750	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,1|H<1>}	121.9270	0.000	1	121.9270	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	121.0060	0.000	1	121.0060	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	119.3430	1.169	4	119.3430	1.368	4	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,1|H<1>}	122.1370	0.000	1	122.1370	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CC[6a]2N)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2N){1|C<3>,1|H<1>}	120.1930	0.000	1	120.1930	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	117.3880	0.000	1	117.3880	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>}	121.2530	0.000	1	121.2530	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	121.1757	2.713	3	121.1757	7.363	3	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CN[5]CH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]CH){1|C<3>,1|H<1>}	122.7550	0.000	1	122.7550	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(CNiHH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CNiHH){1|C<3>}	122.0905	0.595	2	122.0905	0.354	2	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	121.6430	0.000	1	121.6430	0.000	1	121.0648	2.040	35	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NH3){1|C<3>,1|H<1>}	119.0430	0.000	1	119.0430	0.000	1	119.0430	0.000	1	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]H)2(PC[6]2Mo)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6]2Mo){1|C<3>}	121.1625	0.227	2	121.1423	0.027	3	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]H)2(PC[6]2Mo)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6]2Mo){1|C<3>,1|H<1>}	121.1020	0.000	1	121.1423	0.027	3	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6]FeC)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6]FeC){1|C<3>,1|H<1>}	120.5530	0.225	2	120.5530	0.051	2	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6]MoC)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6]MoC){1|C<3>,1|H<1>}	122.3375	1.290	2	122.3375	1.665	2	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6]PdO)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6]PdO){1|C<3>,1|H<1>}	118.5520	0.000	1	118.5520	0.000	1	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6]ReO)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6]ReO){1|C<3>,1|H<1>}	119.0040	0.000	1	119.0040	0.000	1	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6a]2N)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6a]2N){1|C<3>,1|H<1>}	121.9740	0.000	2	121.9740	0.000	2	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6a]3)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6a]3){1|C<3>,1|H<1>}	121.6230	0.000	1	121.6230	0.000	1	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6a]CO)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6a]CO){1|C<3>,1|H<1>}	120.9190	0.000	1	120.9190	0.000	1	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PC[6a]NN)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6a]NN){1|C<3>,1|H<1>}	119.7700	0.000	1	119.7700	0.000	1	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PFeCC)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PFeCC){1|C<3>,1|H<1>}	119.9380	0.000	1	119.9380	0.000	1	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(PMo2H)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PMo2H){1|C<3>,1|H<1>}	119.1360	0.000	1	119.1360	0.000	1	120.7561	1.549	16	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(SMn3)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SMn3){1|C<3>,1|H<1>}	120.7890	0.000	1	120.7890	0.000	1	119.3315	0.985	4	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(SC[5]OO)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SC[5]OO){1|C<3>,1|H<1>}	118.9450	0.000	1	118.9450	0.000	1	119.3315	0.985	4	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(SN[6]OO)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]H)2(SN[6]OO){1|C<3>}	118.7960	0.327	2	118.7960	0.107	2	119.3315	0.985	4	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)2(SiC[6a]3)	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(SiC[6a]3){1|C<3>,1|H<1>}	120.3995	0.426	2	120.3995	0.182	2	120.3995	0.182	2	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	119.5393	0.120	3	119.5393	0.014	3	119.5393	0.014	3	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>}	119.3570	0.000	1	119.3570	0.000	1	119.3570	0.000	1	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>}	121.1140	0.000	1	121.1140	0.000	1	121.1140	0.000	1	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:3:4:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Mg<4>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>}	121.4610	0.300	2	121.4610	0.090	2	121.4610	0.090	2	120.9539	2.403	72	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:4:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C-4:N[6]-2:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6])	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6]){1|C<3>,1|H<1>}	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	118.9355	0.025	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:4:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(PC[6]PdO)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(PC[6]PdO)(C[6]C[6]){1|C<3>,1|H<1>}	119.0470	0.000	1	119.0470	0.000	1	119.0470	0.000	1	118.9355	0.025	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	3:4:3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6,6a]-3:C-4:C[6]-3:	C[6](C[6]C[6,6a]C)(C[6]N[6])(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]AuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|P<4>}	C[6](PC[6a]AuC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	120.4470	0.000	1	120.4470	0.000	1	120.4470	0.000	1	120.4470	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	As-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]As)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](AsC[6]2Pd)(C[6]C[6]H)2	C[6](C[6]C[6]As)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|As<4>,1|C<3>,1|H<1>}	C[6](AsC[6]2Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](BC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<3>,1|H<1>}	124.6070	0.000	1	124.6070	0.000	1	124.6070	0.000	1	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>}	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>}	120.1870	1.311	2	120.1870	1.719	2	120.1870	1.719	2	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[3]-4:C[6]-3:C[6]-3:	C[6](C[6]C[3]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[3]C[3]2H)(C[6]C[6]H)2	C[6](C[6]C[3]C[6])(C[6]C[6])(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]H)2{3|C<3>,3|H<1>}	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[4]-4:C[6]-3:C[6]-3:	C[6](C[6]C[4]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2	C[6](C[6]C[4]C[6])(C[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2{2|O<2>,3|H<1>,4|C<3>}	121.4410	0.000	1	121.4410	0.000	1	121.4410	0.000	1	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	122.2520	0.000	1	122.2520	0.000	1	120.7785	4.342	2	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	119.3050	0.000	1	119.3050	0.000	1	120.7785	4.342	2	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]2Rh)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2Rh)(C[6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	121.6970	0.000	1	121.6970	0.000	1	120.5743	0.946	3	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2{1|S<4>,3|C<3>,3|H<1>}	119.9810	0.000	1	119.9810	0.000	1	120.5743	0.946	3	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2{1|H<1>,4|C<3>}	120.0450	0.000	1	120.0450	0.000	1	120.5743	0.946	3	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Ge-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]Ge)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](GeC[6]2Ge)(C[6]C[6]H)2	C[6](C[6]C[6]Ge)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Ge<4>,1|C<3>,1|H<1>}	C[6](GeC[6]2Ge)(C[6]C[6]H)2{1|C<3>,1|H<1>}	121.1220	0.000	1	121.1220	0.000	1	121.1220	0.000	1	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](PC[6a]2Pt)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Pt)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.6945	0.293	2	120.6945	0.086	2	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.2210	0.000	1	120.2210	0.000	1	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]2Ag)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Ag)(C[6]C[6]H)2{1|C<3>,1|H<1>}	119.8560	0.000	1	119.8560	0.000	1	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]2Cu)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Cu)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.1213	0.468	3	120.1213	0.219	3	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]2Ir)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Ir)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.7790	0.000	1	120.7790	0.000	1	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]2Pd)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.4930	0.517	3	120.4930	0.267	3	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|P<4>}	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)2{1|C<3>}	120.3340	0.668	2	120.3340	0.446	2	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>,1|H<1>}	119.6200	0.000	1	119.6200	0.000	1	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	119.7160	0.000	1	119.7160	0.000	1	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]C[6]S)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]C[6]S)(C[6]C[6]H)2{1|C<3>,1|H<1>}	119.4195	0.047	2	119.4195	0.002	2	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]C[6]Sb)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]C[6]Sb)(C[6]C[6]H)2{1|C<3>,1|H<1>}	119.1940	0.000	1	119.1940	0.000	1	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]CrH)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]CrH)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.6500	0.000	1	120.6500	0.000	1	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]MoC)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]MoC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.2060	0.762	3	120.2060	0.580	3	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]PdC)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]PdC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.3160	0.383	2	120.3160	0.147	2	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](PC[6a]RuC)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]RuC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	119.7400	0.000	1	119.7400	0.000	1	120.1506	0.302	25	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	P[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]P[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]P[6])(C[6]C[6])(H){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2{1|H<1>,2|P<4>,3|C<3>}	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Si-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](SiC[6a]2C)(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>}	C[6](SiC[6a]2C)(C[6]C[6]H)2{1|C<3>}	121.8130	0.344	2	121.8130	0.118	2	121.2555	0.317	8	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Si-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](SiC[6a]2C[5])(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	C[6](SiC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.2710	0.000	1	120.2710	0.000	1	121.2555	0.317	8	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Si-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](SiC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	C[6](SiC[6a]2C[6])(C[6]C[6]H)2{1|C<3>,1|H<1>}	121.3620	0.000	1	121.3620	0.000	1	121.2555	0.317	8	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Si-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](SiC[6a]2O[4])(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	C[6](SiC[6a]2O[4])(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.7630	0.000	1	120.7630	0.000	1	121.2555	0.317	8	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Si-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](SiC[6a]CC)(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	C[6](SiC[6a]CC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	121.2370	0.000	1	121.2370	0.000	1	121.2555	0.317	8	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Si-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](SiC[6a]C[6]Si)(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	C[6](SiC[6a]C[6]Si)(C[6]C[6]H)2{1|C<3>,1|H<1>}	121.3925	0.465	2	121.3925	0.216	2	121.2555	0.317	8	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	Si[6]-4:C[6]-3:C[6]-3:	C[6](C[6]Si[6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2	C[6](C[6]Si[6]C[6])(C[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2{2|Si<4>,1|H<1>,3|C<3>}	119.7100	0.000	1	119.7100	0.000	1	119.7100	0.000	1	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	3:3:	4:3:3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|H<1>,1|N<3>}	120.0680	0.000	1	120.0680	0.000	1	120.0680	0.000	1	120.5544	0.961	48	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	4:3:	3:2:1:	C[6]-3:C[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]CuC)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CuC)(C[6]C[6]H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<4>}	120.1500	0.000	2	120.1500	0.000	2	120.1500	0.000	2	120.1500	0.000	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	4:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]CuC)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CuC)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<5>,1|C<4>,1|H<1>}	120.4850	0.000	2	120.4850	0.000	2	120.6692	0.088	6	120.6692	0.088	6	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:1:	4:3:	3:3:1:	C[6]-3:C[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>}	120.7613	0.335	4	120.7613	0.112	4	120.6692	0.088	6	120.6692	0.088	6	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(OC){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(Cl){1|C<2>}	119.8430	0.212	2	119.8430	0.045	2	119.8430	0.045	2	119.8430	0.045	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(OPd)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OPd){1|C<2>}	119.1848	0.345	4	119.1848	0.119	4	119.0754	0.149	5	117.7763	39.551	23	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(ORh)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(ORh){1|C<2>}	118.6380	0.000	1	118.6380	0.000	1	119.0754	0.149	5	117.7763	39.551	23	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]N[6])	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<2>,2|C<2>}	C[6](C[6]C[6]2)(C[6]N[6]){3|C<2>}	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<2>,2|C<2>}	119.1520	14.454	4	120.2215	133.224	6	120.2215	133.224	6	117.7763	39.551	23	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]N[6])	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<3>,2|C<2>}	C[6](C[6]C[6]2)(C[6]N[6]){4|C<2>}	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<3>,2|C<2>}	122.3605	5.068	2	120.2215	133.224	6	120.2215	133.224	6	117.7763	39.551	23	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])(NNi)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(NNi)	C[6](C[6]C[6]N)(C[6]C[6])(NNi){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6])(NNi){1|C<2>}	113.4475	2.641	6	113.4475	6.973	6	113.4475	6.973	6	117.7763	39.551	23	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(OPd)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])(OPd){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	118.0360	0.816	4	118.0360	0.665	4	118.1398	0.553	5	117.7763	39.551	23	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(ORh)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])(ORh){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	118.5550	0.000	1	118.5550	0.000	1	118.1398	0.553	5	117.7763	39.551	23	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<2>}	120.7640	0.000	1	120.7640	0.000	1	120.7640	0.000	1	117.7763	39.551	23	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:2:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6])(OC){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2){1|C<2>}	119.9880	0.042	2	119.9880	0.002	2	119.9880	0.002	2	119.9880	0.002	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:3:1:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>}	120.0355	0.056	2	120.0355	0.003	2	120.0355	0.003	2	119.3524	2.026	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>}	119.9415	0.019	2	119.9415	0.000	2	119.9415	0.000	2	119.3524	2.026	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6])(OC)	C[6](C[6]C[6]O)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6])(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>}	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	119.3524	2.026	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<2>}	118.6782	0.714	4	118.6782	0.510	4	118.8658	0.559	5	118.8658	0.559	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<2>,1|H<1>}	119.6160	0.000	1	119.6160	0.000	1	118.8658	0.559	5	118.8658	0.559	5	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:3:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)2(NC[6]Ni)	C[6](C[6]C[6]N)(C[6]C[6])(OC){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|N<3>}	C[6](C[6]C[6]O)2(NC[6]Ni){1|C<2>}	120.6315	0.675	2	120.6315	0.456	2	120.6315	0.456	2	120.6315	0.456	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:2:	3:4:2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])(ORe)	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(PC[6]2Re)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])(ORe){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|P<4>}	C[6](C[6]C[6]O)(PC[6]2Re)(C[6]C[6]){1|C<2>}	118.6610	0.000	1	118.6610	0.000	1	118.6610	0.000	1	118.6610	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:2:1:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NP[5])	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NP[5]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>}	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:2:2:	C[6]-3:C[6]-2:S-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:S-2:	C[6](C[6]N[6]S)(C[6]C[6])(SNi)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]S)(N[6]C[6])(SNi)	C[6](C[6]N[6]S)(C[6]C[6])(SNi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6])(SNi){1|C<3>,1|H<1>}	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:2:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]O)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(OC){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CCC){1|C<3>,1|O<2>}	121.6630	0.000	1	121.6630	0.000	1	121.6630	0.000	1	120.5890	2.307	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:2:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:N[6]-3:	C[6]-3:N[6]-2:C-3:	C[6](C[6]N[6]C)(C[6]N[6])(OH)	C[6](C[6]C[6]O)(N[6]C[6]C)	C[6](C[6]C[6]O)(N[6]C[6])(CNO)	C[6](C[6]N[6]C)(C[6]N[6])(OH){1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]O)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1	120.5890	2.307	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	118.8730	0.000	1	117.8625	2.042	2	118.5533	2.453	3	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	116.8520	0.000	1	117.8625	2.042	2	118.5533	2.453	3	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.9350	0.000	1	119.9350	0.000	1	118.5533	2.453	3	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	118.6300	0.000	1	118.6300	0.000	1	119.4675	1.403	2	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	120.3050	0.000	1	120.3050	0.000	1	119.4675	1.403	2	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>}	120.2200	1.484	2	119.8305	0.964	4	120.1503	1.266	6	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	119.4410	0.288	2	119.8305	0.964	4	120.1503	1.266	6	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	119.7390	0.000	1	119.7390	0.000	1	120.1503	1.266	6	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	121.8410	0.000	1	121.8410	0.000	1	120.1503	1.266	6	119.5906	1.777	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){1|P<4>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<3>}	118.2880	1.095	4	118.2880	1.200	4	119.0289	1.289	8	119.3983	3.272	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(OSn)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2(OSn){1|C<3>}	119.7698	0.586	4	119.7698	0.343	4	119.0289	1.289	8	119.3983	3.272	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(OH){1|C<3>,1|H<1>}	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	119.3983	3.272	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:2:	C[6]-3:C[6]-2:S-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(SOs)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6]S)(SOs)	C[6](C[6]C[6]S)(C[6]C[6])(SOs){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SOs){1|C<3>,1|H<1>}	119.6517	3.000	4	119.6517	9.001	4	119.5392	6.814	5	119.3983	3.272	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:2:	C[6]-3:C[6]-2:S-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(SRu)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]S)(C[6]C[6])(SRu){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<3>}	119.0890	0.000	1	119.0890	0.000	1	119.5392	6.814	5	119.3983	3.272	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6])(CC){1|C<2>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>}	115.0340	0.000	1	115.0340	0.000	1	115.0340	0.000	1	118.5762	7.264	12	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]C)2(ONi2)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|Br<1>,2|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|O<3>}	C[6](C[6]C[6]C)2(ONi2){1|C<3>}	119.2065	0.287	6	119.2065	0.083	6	119.2065	0.083	6	118.5762	7.264	12	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[4a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH)	C[6](C[6]C[6]N[5])(C[6]C[6]O)	C[6](C[4a]C[4a]2)(C[6]C[6]O)2	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[4a]C[4a]2)(C[6]C[6]O)2{1|H<1>,2|C<3>,2|O<1>}	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	118.5762	7.264	12	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6]O)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|O<1>,2|C<2>}	C[6](C[6]C[6]O)2{2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>}	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	118.5762	7.264	12	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]O)2	C[6](C[6]C[6]2)(C[6]C[6])(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)2{1|Ag<4>,2|H<1>,3|C<3>}	120.7630	0.000	1	120.7630	0.000	1	120.7630	0.000	1	118.5762	7.264	12	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]S)(C[6]C[6])(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]S)(C[6]C[6])(OH){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,1|S<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<3>,1|O<2>}	118.3770	0.000	1	118.3770	0.000	1	118.3770	0.000	1	118.5762	7.264	12	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6])(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6])(OP){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	118.5762	7.264	12	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6])(OFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>}	118.4900	0.000	1	118.4900	0.000	1	127.2193	57.359	3	127.2193	57.359	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	3:3:	3:3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){2|C<3>}	131.5840	0.645	2	131.5840	0.416	2	127.2193	57.359	3	127.2193	57.359	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	4:3:	3:3:2:	C[6]-3:C[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OMg)	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OMg){1|C<4>,1|H<1>}	123.1760	0.000	1	123.1760	0.000	1	121.6680	4.548	2	121.6680	4.548	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	4:3:	3:3:2:	C[6]-3:C[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]HS)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]O){1|C<3>,1|O<2>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|S<2>}	120.1600	0.000	1	120.1600	0.000	1	121.6680	4.548	2	121.6680	4.548	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:2:	4:3:	4:3:3:	C[6]-3:C[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N){1|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>}	117.1150	0.000	1	117.1150	0.000	1	117.1150	0.000	1	117.1150	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	2:3:	3:3:3:	C[6]-3:C[6]-2:P-3:	C[6]-2:C[6]-3:	C[6,6]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6,6]C[5a])(C[6]C[6])(PC[6]2)	C[6](C[6]C[6,6])(C[6]C[6]P)	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P)	C[6](C[6]C[6,6]C[5a])(C[6]C[6])(PC[6]2){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6,6])(C[6]C[6]P){1|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P){2|C<3>,4|C<2>}	118.9200	0.000	1	118.9200	0.000	1	118.9200	0.000	1	118.9200	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:2:1:	C[6]-3:C[6]-2:Se-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(SeRe2)	C[6](C[6]C[6]Se)(C[6]C[6])	C[6](C[6]C[6]Se)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(SeRe2){1|C<3>}	C[6](C[6]C[6]Se)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6])(H){1|C<2>,1|H<1>}	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:2:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OC){1|C<2>}	119.9915	0.029	2	119.9915	0.001	2	119.9915	0.001	2	119.9915	0.001	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:2:3:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(NSnC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(NSnC)	C[6](C[6]C[6]N)(C[6]C[6])(NSnC){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6])(NSnC){1|C<2>}	119.6910	1.037	5	119.6910	1.075	5	119.6910	1.075	5	120.5576	1.780	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:2:3:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])(NPdC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(SPd2)	C[6](C[6]C[6]S)(C[6]C[6])(NPdC){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|S<3>}	C[6](C[6]C[6]N)(C[6]C[6])(SPd2){1|C<2>}	119.4200	0.000	1	119.4200	0.000	1	119.4200	0.000	1	120.5576	1.780	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:2:3:	C[6]-3:C[6]-2:S-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(SPd2)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])(NPdC)	C[6](C[6]C[6]N)(C[6]C[6])(SPd2){1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]S)(C[6]C[6])(NPdC){1|C<2>}	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	120.5576	1.780	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:2:3:	C[6]-3:C[6]-2:S-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])(SCoFe)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])(SCoFe)	C[6](C[6]C[6]S)(C[6]C[6])(SCoFe){1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6])(SCoFe){1|C<2>}	121.9850	1.957	2	121.9850	3.831	2	121.4190	1.381	7	120.5576	1.780	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:2:3:	C[6]-3:C[6]-2:S-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])(SCoW)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])(SCoW)	C[6](C[6]C[6]S)(C[6]C[6])(SCoW){1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6])(SCoW){1|C<2>}	121.5242	0.673	4	121.5242	0.452	4	121.4190	1.381	7	120.5576	1.780	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:2:3:	C[6]-3:C[6]-2:S-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])(SFe2)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])(SFe2)	C[6](C[6]C[6]S)(C[6]C[6])(SFe2){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6])(SFe2){1|C<1>,1|C<2>}	119.8660	0.000	1	119.8660	0.000	1	121.4190	1.381	7	120.5576	1.780	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	119.3630	0.000	1	119.3630	0.000	1	118.2480	2.486	2	117.6190	2.430	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	117.1330	0.000	1	117.1330	0.000	1	118.2480	2.486	2	117.6190	2.430	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>}	116.3610	0.000	1	116.3610	0.000	1	116.3610	0.000	1	117.6190	2.430	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]N)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<2>}	C[6](C[6]C[6]C)2(NC){1|C<2>}	118.1190	0.904	2	118.1190	0.817	2	118.1190	0.817	2	118.8899	5.176	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)2(SC[6a])	C[6](C[6]C[6]S)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<2>}	C[6](C[6]C[6]C)2(SC[6a]){1|C<2>}	118.0052	0.193	4	118.0052	0.037	4	118.0052	0.037	4	118.8899	5.176	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:3:2:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[5]-3:C[6]-3:C[6]-2:	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO){1|C<3>,2|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	123.9700	0.000	1	123.9700	0.000	1	123.9700	0.000	1	118.8899	5.176	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(CHH)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6])(CHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	117.7990	7.858	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6])(O){1|C<3>,1|H<1>}	120.4410	0.000	1	120.4410	0.000	1	120.4410	0.000	1	117.7990	7.858	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(CNO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>}	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	117.7990	7.858	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:2:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCO)	C[6](C[6]C[6]N)(C[6]N[6]C)	C[6](C[6]C[6]N)(C[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCO){1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C){1|Ni<6>,1|C<2>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6])(H){1|Ni<6>,1|C<3>}	119.3270	0.000	1	119.3270	0.000	1	119.3270	0.000	1	117.7990	7.858	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:2:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])(CCC){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OC){2|C<3>}	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:2:3:	C[6]-3:C[6]-2:S-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])(SFe2)	C[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[6]S)(C[6]C[6])(SFe2)	C[6](C[6]C[6]S)(C[6]C[6])(SFe2){1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]S){1|C<2>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6])(SFe2){1|C<3>}	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	117.5470	0.000	1	117.5470	0.000	1	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.5012	0.411	4	118.5012	0.169	4	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.5140	0.000	1	118.5140	0.000	1	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.3510	0.000	1	120.3510	0.000	1	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	115.5060	0.000	1	115.5060	0.000	1	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.4817	0.605	3	118.4817	0.366	3	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>}	118.0700	0.000	1	118.0700	0.000	1	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	118.8050	0.000	1	118.8050	0.000	1	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>}	118.9290	0.000	1	118.9290	0.000	1	118.3694	1.136	14	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC)	C[6](C[6]C[6,6]H)(C[6]C[6]N)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]N){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H){3|C<3>}	117.8820	0.000	1	117.8820	0.000	1	117.8820	0.000	1	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|C<3>,1|C<4>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	120.5190	0.000	1	120.5190	0.000	1	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>}	121.1320	0.000	1	121.1320	0.000	1	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NC[6]Cu)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6]Cu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	118.7040	0.000	1	118.7040	0.000	1	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	116.5810	0.000	1	116.5810	0.000	1	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NOO){3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	119.7650	0.000	1	119.7650	0.000	1	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>}	122.4150	0.000	1	122.1015	0.197	2	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	121.7880	0.000	1	122.1015	0.197	2	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>}	120.9690	0.000	1	120.9690	0.000	1	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NPdC)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NPdC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	119.2860	0.000	1	118.2545	2.128	2	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NPdC)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NPdC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	117.2230	0.000	1	118.2545	2.128	2	119.8382	3.656	10	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>}	124.7470	0.000	1	124.7470	0.000	1	124.7470	0.000	1	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:S-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(SCO)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	119.1055	4.035	28	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<2>,3|C<3>}	119.6030	0.000	1	119.6030	0.000	1	119.6030	0.000	1	119.0839	0.197	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<3>,1|H<1>}	118.7285	0.596	2	118.7285	0.355	2	118.9172	0.169	5	119.0839	0.197	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,1|H<1>}	119.1245	0.404	2	119.1245	0.163	2	118.9172	0.169	5	119.0839	0.197	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn){1|C<3>,1|H<1>}	118.8800	0.000	1	118.8800	0.000	1	118.9172	0.169	5	119.0839	0.197	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:2:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6])(NC[6]Ni)	C[6](C[6]C[6,6]O)(C[6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(ONi)	C[6](C[6]C[6,6]O)(C[6]C[6])(NC[6]Ni){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]N){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(ONi){1|C<3>,2|C<2>}	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	119.0839	0.197	7	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCoNi)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCoNi){1|C<3>,1|H<1>}	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:	3:3:4:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]N)(C[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)2(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(CCH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	C[6](C[6]C[6]C)2(NH3){1|C<3>}	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6])(CCCO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6])(CCCO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,2|F<1>}	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<2>,1|F<1>}	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	116.9343	0.377	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|S<2>}	116.3100	0.000	1	116.3100	0.000	1	116.6330	0.209	2	116.9343	0.377	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHP)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHP){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|H<1>}	116.9560	0.000	1	116.9560	0.000	1	116.6330	0.209	2	116.9343	0.377	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:2:4:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]N)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(NH3){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6])(NH3){1|C<2>}	112.9475	3.492	4	112.9475	12.194	4	112.9475	12.194	4	112.9475	12.194	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	118.0030	0.000	1	118.0030	0.000	1	118.1623	0.160	3	118.6430	1.031	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|S<4>}	118.6180	0.000	1	118.6180	0.000	1	118.1623	0.160	3	118.6430	1.031	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	117.8660	0.000	1	117.8660	0.000	1	118.1623	0.160	3	118.6430	1.031	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:3:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO)	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|C<4>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	118.6430	1.031	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:2:	3:4:2:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-2:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])(NIrCC)	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N)(PC[6]2Ir)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])(NIrCC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<1>,1|C<2>,1|P<4>}	C[6](C[6]C[6]N)(PC[6]2Ir)(C[6]C[6]){1|C<1>,1|C<2>}	119.9865	0.035	2	119.9865	0.001	2	119.9865	0.001	2	119.9865	0.001	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	118.2250	0.000	1	118.2250	0.000	1	118.2250	0.000	1	119.6665	4.156	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:2:1:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|N<4>}	121.1080	0.000	1	121.1080	0.000	1	121.1080	0.000	1	119.6665	4.156	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:2:3:	C[6]-3:C[6]-2:C-4:	N[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)(C[6]N[6])(CHHO)	C[6](N[6]C[5]C[6])(C[6]C[6]C)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6])(CHHO){1|C<3>,1|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|N<3>,1|O<1>}	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:2:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<3>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6])(NH3){1|C<3>,1|C<4>}	116.2330	0.000	1	116.2330	0.000	1	116.2330	0.000	1	119.8720	26.485	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:2:4:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(NH3)	C[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6])(NH3){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<3>,1|N<4>}	123.5110	0.000	1	123.5110	0.000	1	123.5110	0.000	1	119.8720	26.485	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:B-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]C)	C[6](C[6]C[6]B)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|C<4>}	C[6](C[6]C[6]B)(C[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	116.0090	0.000	1	116.0090	0.000	1	114.3735	5.350	2	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:B-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	112.7380	0.000	1	112.7380	0.000	1	114.3735	5.350	2	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.1050	0.000	1	118.1050	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C[6](C[6]C[6]Ir)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir)(C[6]C[6]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	119.1610	0.000	1	119.1610	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	117.5380	0.000	1	117.0685	0.441	2	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	116.5990	0.000	1	117.0685	0.441	2	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	117.7040	0.000	1	117.7040	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>}	110.0530	0.000	1	110.0530	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.5830	0.000	2	118.5830	0.000	2	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHP)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.1750	0.000	1	118.1750	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.4150	0.000	1	118.4150	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]B)(C[6]C[6]C)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|B<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]B)(C[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	121.5360	0.000	1	121.5360	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|S<4>}	120.2070	0.000	1	122.7605	13.041	2	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	125.3140	0.000	1	122.7605	13.041	2	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	117.7330	0.000	1	117.5453	1.138	3	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	116.3970	0.000	1	117.5453	1.138	3	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Zr<13>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<13>,1|C<3>,1|N<3>}	118.5060	0.000	1	117.5453	1.138	3	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	115.8990	0.000	1	115.8990	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.5440	9.693	2	118.5440	93.955	2	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>}	118.0960	0.000	1	117.9317	0.060	4	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>}	118.0250	0.000	1	117.9317	0.060	4	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	117.8030	0.334	2	117.9317	0.060	4	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	115.8680	0.000	1	115.8680	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>}	120.1230	0.000	1	120.1230	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHS)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	119.1790	0.000	1	119.1790	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHNP)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	116.6810	0.000	1	116.6810	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.8120	0.000	1	117.8120	0.000	1	118.1066	9.351	28	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>}	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	119.6910	0.000	1	119.6910	0.000	1	119.1113	0.261	3	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.9140	0.000	1	118.9140	0.000	1	119.1113	0.261	3	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(PNiCC)	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(PNiCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.7290	0.000	1	118.7290	0.000	1	119.1113	0.261	3	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6])(SO3)	C[6](C[6]C[6,6a]H)(C[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6])(SO3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]S){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,3|C<3>}	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(SC[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SC[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	121.2260	0.000	1	121.2260	0.000	1	120.4687	0.489	6	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(SC[6]OO)	C[6](C[6]C[6]Br)(C[6]C[6]S)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SC[6]OO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|O<2>}	120.9920	0.000	1	120.9920	0.000	1	120.4687	0.489	6	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	120.4780	0.322	2	120.4780	0.104	2	120.4687	0.489	6	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	120.3880	0.000	1	120.3880	0.000	1	120.4687	0.489	6	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	119.2500	0.000	1	119.2500	0.000	1	120.4687	0.489	6	118.4443	8.470	43	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(NC){1|C<3>,1|H<1>}	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	118.1403	1.324	13	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<3>}	117.7305	0.046	2	117.7305	0.002	2	117.9712	1.039	12	118.1403	1.324	13	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(OSm)	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2(OSm){1|C<3>}	119.0222	1.138	4	119.0222	1.295	4	117.9712	1.039	12	118.1403	1.324	13	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(OSn)	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2(OSn){1|C<3>}	117.5210	0.292	4	117.5210	0.085	4	117.9712	1.039	12	118.1403	1.324	13	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|O<1>}	117.2300	0.000	1	117.2300	0.000	1	117.9712	1.039	12	118.1403	1.324	13	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)2(OP[6])	C[6](C[6]C[6]O)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OP[6]){1|C<3>,1|H<1>}	116.7910	0.000	1	116.7910	0.000	1	117.9712	1.039	12	118.1403	1.324	13	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	B[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|B<3>,1|C<3>}	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2{1|C<4>,4|C<3>}	120.0050	0.346	2	120.0050	0.120	2	120.0050	0.120	2	118.0661	1.864	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6]C)2{2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2{1|O<2>,3|C<3>}	117.3350	0.191	2	117.3350	0.036	2	117.3350	0.036	2	118.0661	1.864	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	118.5480	0.000	1	118.5480	0.000	1	118.5480	0.000	1	118.0661	1.864	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)2(NZnC)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(NZnC){1|C<3>,1|H<1>}	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	118.0661	1.864	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	115.7320	0.000	1	115.7320	0.000	1	117.1558	1.522	5	118.0661	1.864	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]C)2(N[5]C[5]2){1|Pt<3>,1|H<1>,1|N<3>,2|C<3>}	117.5118	1.088	4	117.5118	1.185	4	117.1558	1.522	5	118.0661	1.864	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2{1|Br<1>,1|N<3>,3|C<3>}	117.9445	0.231	2	117.9445	0.053	2	117.9445	0.053	2	118.0661	1.864	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:3:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(PTiCC)	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti)	C[6](C[6]C[6]N)(C[6]C[6])(PTiCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti){1|C<3>,1|H<1>}	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	118.0661	1.864	14	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(CC[6a]HN)	C[6](C[6]C[6]C)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	115.7413	12.601	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)2(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	C[6](C[6]C[6]C)2(NH3){1|C<3>}	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	115.7413	12.601	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	3:3:	3:3:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(PSiNU)	C[6](C[6]C[6]P)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)2(PSiNU){1|C<3>,1|H<1>}	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	115.7413	12.601	3	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:2:4:	4:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]LiH)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|Li<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]LiH)(C[6]C[6]C){1|Ti<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<6>,1|Ti<9>,1|C<4>}	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:	3:2:1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|Te<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|C<2>,1|H<1>,2|C<3>}	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:	3:2:3:	C[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO)	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO){1|C<3>,2|C<2>}	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	115.4730	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,2|N<3>}	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	118.7248	1.534	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:	3:3:1:	C[6]-3:As-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	118.9840	0.000	1	118.9840	0.000	1	118.9840	0.000	1	118.7248	1.534	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	118.7248	1.534	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:	3:3:1:	P-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>}	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	118.7248	1.534	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:2:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]N[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<3>,1|H<1>,2|C<2>}	C[6](C[6]C[6]2)(C[6]N[6])(H){1|C<2>,2|C<3>}	113.9010	0.000	1	113.9010	0.000	1	113.9010	0.000	1	117.7318	15.002	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:2:1:	C[6]-3:N-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>}	117.8880	0.000	1	117.8880	0.000	1	117.8880	0.000	1	117.7318	15.002	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H){1|Mn<6>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6])(H){1|Mn<6>,1|N<2>,2|C<3>}	116.1370	0.000	1	116.1370	0.000	1	116.1370	0.000	1	117.7318	15.002	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:2:1:	N[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6])(H){1|N<3>,3|C<3>}	123.0010	0.000	1	123.0010	0.000	1	123.0010	0.000	1	117.7318	15.002	4	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:2:3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6])(COO)	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(COO){1|H<1>,3|C<3>}	118.6630	0.000	1	118.6630	0.000	1	118.6630	0.000	1	118.6630	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	115.7590	0.000	1	116.9535	2.854	2	116.9535	2.854	2	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.1480	0.000	1	116.9535	2.854	2	116.9535	2.854	2	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.5910	0.000	1	121.5910	0.000	1	120.5385	2.216	2	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	119.4860	0.000	1	119.4860	0.000	1	120.5385	2.216	2	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:As-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.1470	0.000	1	119.1470	0.000	1	119.1470	0.000	1	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,2|C<3>}	120.0490	0.000	1	117.8754	1.983	5	117.8828	1.587	6	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|C<4>,2|C<3>}	116.4780	0.000	1	117.8754	1.983	5	117.8828	1.587	6	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	117.2430	0.464	2	117.8754	1.983	5	117.8828	1.587	6	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,3|C<3>}	118.3640	0.000	1	117.8754	1.983	5	117.8828	1.587	6	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Se<2>,1|C<2>,1|C<3>,1|H<1>}	117.9200	0.000	1	117.9200	0.000	1	117.8828	1.587	6	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6a]C[6])(H){7|C<3>}	119.8090	0.000	1	119.8090	0.000	1	119.8090	0.000	1	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-2:	C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]){1|Ir<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ir){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	119.1450	0.331	2	119.1450	0.110	2	119.1450	0.110	2	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:N[4]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6])	C[6](C[6]C[6]N[4])(C[6]C[6]H)	C[6](C[6]C[6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[4])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[4])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	119.3220	0.000	1	119.3220	0.000	1	119.3220	0.000	1	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]Br)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6]){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	121.1950	0.000	1	121.1950	0.000	1	121.1950	0.000	1	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|N<3>,4|C<3>}	119.2390	0.000	1	119.2390	0.000	1	118.4199	3.113	14	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]N[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){5|C<3>}	121.6530	0.000	1	121.6530	0.000	1	118.4199	3.113	14	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){3|C<3>}	116.0035	1.701	2	116.0035	2.892	2	118.4199	3.113	14	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	118.4980	1.279	10	118.4980	1.635	10	118.4199	3.113	14	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]N[5])(C[6]C[6]O)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H)	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H){1|C<4>,3|C<3>}	117.9430	0.000	1	117.9430	0.000	1	117.9430	0.000	1	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:1:	P[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P[6])(C[6]C[6]H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H)	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	118.6054	2.610	32	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	121.6800	0.000	1	121.6800	0.000	1	121.6800	0.000	1	121.6800	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:2:	3:2:2:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(PC[6]2Re)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])(ORe)	C[6](C[6]C[6]O)(PC[6]2Re)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]P)(C[6]C[6])(ORe){1|C<2>}	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:2:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(PC[6]PdO)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)(PC[6]PdO)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	120.5040	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:2:4:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]N)(PC[6]2Ir)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]P)(C[6]C[6])(NIrCC)	C[6](C[6]C[6]N)(PC[6]2Ir)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<2>,1|N<4>}	C[6](C[6]C[6]P)(C[6]C[6])(NIrCC){1|C<3>}	119.9940	0.030	2	119.9940	0.001	2	119.9940	0.001	2	119.9940	0.001	2	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.8790	0.000	1	117.8790	0.000	1	118.2668	2.114	4	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<1>}	116.9560	0.000	1	117.4205	0.432	2	118.2668	2.114	4	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	117.8850	0.000	1	117.4205	0.432	2	118.2668	2.114	4	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<2>}	120.3470	0.000	1	120.3470	0.000	1	118.2668	2.114	4	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(PC[6]2Mo)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6]2Mo)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Cl<1>,1|C<3>}	118.8040	0.000	1	118.8040	0.000	1	118.5320	1.230	7	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(PC[6]MoC)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6]MoC)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	116.2360	0.000	1	116.2360	0.000	1	118.5320	1.230	7	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(PC[6]ReO)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6]ReO)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>}	118.6820	0.000	1	118.6820	0.000	1	118.5320	1.230	7	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.9325	0.414	2	118.9325	0.171	2	118.5320	1.230	7	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.3820	0.000	1	118.3820	0.000	1	118.5320	1.230	7	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	3:4:2:	3:3:	3:3:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	119.7550	0.000	1	119.7550	0.000	1	118.5320	1.230	7	118.4355	1.390	11	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:2:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	117.6050	0.000	1	117.6050	0.000	1	117.6050	0.000	1	117.6050	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:2:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]AuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]AuC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	117.8960	0.000	1	117.8960	0.000	1	117.8960	0.000	1	117.8960	0.000	1	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	As-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](AsC[6]2Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](AsC[6]2Pd)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.3960	0.000	1	118.3960	0.000	1	119.4460	1.063	3	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	As-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](AsC[6a]MoO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](AsC[6a]MoO)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.9710	0.687	2	119.9710	0.472	2	119.4460	1.063	3	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	C[3]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[3]C[6])(C[6]C[6]H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6]){1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.4310	0.000	1	118.4310	0.000	1	118.9110	0.232	3	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6]){1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Br<1>,1|N<3>,3|C<3>}	119.3940	0.000	1	119.3940	0.000	1	118.9110	0.232	3	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	118.9080	0.000	1	118.9080	0.000	1	118.9110	0.232	3	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]){1|C<4>,3|O<2>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.7700	0.000	1	117.7700	0.000	1	117.8865	0.027	2	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6]){4|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	118.0030	0.000	1	118.0030	0.000	1	117.8865	0.027	2	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	Ge-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](GeC[6a]2Pt)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Ge)(C[6]C[6]H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](GeC[6a]2Pt)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>}	117.5400	0.000	1	117.5400	0.000	1	117.7240	0.068	2	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	Ge-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](GeC[6a]2Rh)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Ge)(C[6]C[6]H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](GeC[6a]2Rh)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.9080	0.000	1	117.9080	0.000	1	117.7240	0.068	2	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	120.4700	0.000	1	120.4700	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Ir)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Ir)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.7660	0.000	1	118.7660	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	119.6380	0.000	1	119.6380	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Ru)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Ru)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	121.4620	0.000	1	121.4620	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]C[5]Ag)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[5]Ag)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	120.0403	0.821	4	120.0403	0.674	4	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	117.2560	0.000	1	117.2560	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.8790	0.000	1	118.8790	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]CoC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]CoC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	117.8660	0.000	1	117.8660	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]IrC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]IrC)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>}	118.1370	0.000	1	118.1370	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]NiC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]NiC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	117.0590	0.000	1	117.0590	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]OsC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]OsC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.2730	0.000	1	118.2730	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]PdO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]PdO)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	119.1220	0.000	1	119.1220	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]PtC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]PtC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.4630	0.000	1	118.4630	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]ReO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]ReO)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	117.5370	0.000	1	117.5370	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.6120	0.000	1	118.6120	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.2040	0.000	1	118.2040	0.000	1	118.9424	1.532	19	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354
762	206	762	6:SP2_SP1_SP2	C[6]	C[6]	C[6]	4:3:2:	3:3:	3:3:1:	Si-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](SiC[6a]2C)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]2C)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>}	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	118.7194	1.401	31	119.8181	4.722	1278	119.7990	4.723	1354