856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:2:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	N[6]-3:O[6]-2:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(O[6]C[6])(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]S)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.0550	0.000	2	116.0550	0.000	2	116.0550	0.000	2	116.0550	0.000	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:2:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	N[6]-3:N[6]-2:C-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH){3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.2900	0.000	1	119.2900	0.000	1	119.2900	0.000	1	118.2015	2.370	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:2:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	N[6]-3:O[6]-2:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	118.2015	2.370	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|O<1>,2|C<3>,2|C<4>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.4360	0.000	1	117.4360	0.000	1	117.4360	0.000	1	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.9740	0.175	2	116.9740	0.031	2	117.9191	0.718	14	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|N<2>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.0040	0.000	1	118.0040	0.000	1	117.9191	0.718	14	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.0170	0.160	3	119.0170	0.026	3	117.9191	0.718	14	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.2670	0.000	1	118.2670	0.000	1	117.9191	0.718	14	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.5480	0.000	1	116.5480	0.000	1	117.9191	0.718	14	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)2(SC[6a]OO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.4395	0.439	2	117.4395	0.193	2	117.9191	0.718	14	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.2080	0.945	2	118.0427	0.378	4	117.9191	0.718	14	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)2(SC[6a]OO){1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.8775	0.363	2	118.0427	0.378	4	117.9191	0.718	14	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	N[5,6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O){1|O<1>,3|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.9030	0.000	1	118.9030	0.000	1	118.9030	0.000	1	117.9504	0.702	16	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:O-1:	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H)	S(N[6]C[6]2)(CF3)(O)2	N[6](C[6]C[6]H)2(SCOO){1|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	S(N[6]C[6]2)(CF3)(O)2	120.2920	0.477	2	120.2920	0.227	2	119.9522	0.187	6	119.9522	0.187	6	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:O-1:	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)	S(N[6]C[6]2)(CF3)(O)2	N[6](C[6]C[6]H)2(SCOO){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H){1|H<1>,3|C<3>}	S(N[6]C[6]2)(CF3)(O)2	119.5070	0.058	2	119.5070	0.003	2	119.9522	0.187	6	119.9522	0.187	6	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:O-1:	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(N[6]C[6]2)(CF3)(O)2	N[6](C[6]C[6]H)2(SCOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	S(N[6]C[6]2)(CF3)(O)2	120.0575	0.230	2	120.0575	0.053	2	119.9522	0.187	6	119.9522	0.187	6	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:2:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(NS)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(NS){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.9580	0.275	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:2:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6])	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	121.0155	0.728	2	121.0155	0.529	2	121.0155	0.529	2	120.9580	0.275	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	118.8919	5.114	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	120.9330	0.000	1	120.9330	0.000	1	120.9330	0.000	1	118.8919	5.114	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS){2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	118.8919	5.114	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.0170	0.000	1	116.0170	0.000	1	118.3465	2.822	4	118.8919	5.114	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.1230	0.784	3	119.1230	0.615	3	118.3465	2.822	4	118.8919	5.114	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:4:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O){3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.5260	0.000	1	116.5260	0.000	1	117.3667	0.896	3	117.3667	0.896	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:4:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.7870	0.856	2	117.7870	0.732	2	117.3667	0.896	3	117.3667	0.896	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:4:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	N[6]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	113.6624	0.704	5	113.6624	0.495	5	113.6624	0.495	5	113.6624	0.495	5	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){2|H<1>,2|N<2>,3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.9970	0.000	1	116.5230	1.380	7	116.3353	1.465	8	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.4440	1.266	6	116.5230	1.380	7	116.3353	1.465	8	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.0210	0.000	1	115.0210	0.000	1	116.3353	1.465	8	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O){1|N<2>,3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	114.9663	0.239	3	114.9663	0.057	3	115.8553	1.112	7	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|N<3>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.2370	0.143	2	116.8990	0.353	3	115.8553	1.112	7	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.2230	0.000	1	116.8990	0.353	3	115.8553	1.112	7	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O){2|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.3910	0.000	1	115.3910	0.000	1	115.8553	1.112	7	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	120.2560	0.000	1	120.2560	0.000	1	118.5382	1.026	13	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.3020	0.000	1	118.3020	0.000	1	118.5382	1.026	13	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.7180	0.000	1	119.7180	0.000	1	118.5382	1.026	13	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.6217	0.241	3	118.6217	0.058	3	118.5382	1.026	13	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O){4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.5660	0.000	1	117.5660	0.000	1	118.5382	1.026	13	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.9887	1.514	3	117.9887	2.293	3	118.5382	1.026	13	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|N<2>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.0905	0.756	2	118.0905	0.571	2	118.5382	1.026	13	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.1420	0.000	1	119.1420	0.000	1	118.5382	1.026	13	117.2380	2.634	28	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6,6]-4:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.2005	2.538	2	117.2005	6.440	2	117.2005	6.440	2	117.2005	6.440	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:2:	3:3:2:	3:3:1:1:	C[6]-3:S-4:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6a]N[6])(SC[6a]OO)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6])	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6a]N[6])(SC[6a]OO)(N[6]C[6]){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	123.0507	5.614	3	123.0507	31.513	3	123.0507	31.513	3	123.0507	31.513	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[5,6,6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	118.8869	2.054	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[5a,6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.2310	0.000	1	117.2310	0.000	1	117.2310	0.000	1	118.8869	2.054	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6,6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.3290	0.000	1	119.3290	0.000	1	119.3290	0.000	1	118.8869	2.054	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.0910	0.000	1	118.0315	0.007	2	119.2377	2.953	4	118.8869	2.054	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){2|C<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.9720	0.000	1	118.0315	0.007	2	119.2377	2.953	4	118.8869	2.054	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	120.4440	1.741	2	120.4440	3.031	2	119.2377	2.953	4	118.8869	2.054	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:2:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6])	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	118.9003	2.027	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){3|C<3>,5|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	120.5440	0.000	1	120.5440	0.000	1	119.3245	2.974	2	118.9003	2.027	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	S(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	S(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)2	118.1050	0.000	1	118.1050	0.000	1	119.3245	2.974	2	118.9003	2.027	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[3,6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O){1|C<3>,1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.7690	0.000	1	118.7690	0.000	1	118.7690	0.000	1	117.8453	1.281	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.5830	0.000	1	116.5830	0.000	1	117.3835	1.282	2	117.8453	1.281	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.1840	0.000	1	118.1840	0.000	1	117.3835	1.282	2	117.8453	1.281	3	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	3:4:4:	4:3:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[5,6]-4:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH){1|C<3>,3|H<1>,4|C<4>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	2:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	O[6]-2:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](O[6]C[6,6])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO){1|H<1>,2|C<4>}	C[6](O[6]C[6,6])(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	115.1120	0.000	1	115.1120	0.000	1	115.7920	0.925	2	115.7920	0.925	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	2:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	O[6]-2:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO)	C[6](O[6]C[6,6a])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO){4|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]S)(O){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.4720	0.000	1	116.4720	0.000	1	115.7920	0.925	2	115.7920	0.925	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	2:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	S[6]-2:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO){4|C<3>}	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:O[6]-2:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](N[6]C[6]S)(O[6]C[6])(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.3343	0.767	6	117.2370	0.439	11	117.3499	0.420	15	117.3499	0.420	15	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:O[6]-2:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](N[6]C[6]S)(O[6]C[6])(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.9340	0.000	1	117.2370	0.439	11	117.3499	0.420	15	117.3499	0.420	15	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:O[6]-2:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](N[6]C[6]S)(O[6]C[6])(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.5785	0.421	2	117.2370	0.439	11	117.3499	0.420	15	117.3499	0.420	15	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:O[6]-2:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](N[6]C[6]S)(O[6]C[6])(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.7550	0.653	2	117.2370	0.439	11	117.3499	0.420	15	117.3499	0.420	15	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:2:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:O[6]-2:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO)	C[6](N[6]C[6]S)(O[6]C[6])(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.6605	0.565	4	117.6605	0.319	4	117.3499	0.420	15	117.3499	0.420	15	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6,6a]H)(N[6]C[5,6]S)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]H)(N[6]C[5,6]S)(H){2|C<3>,2|O<2>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|Fe<10>,1|O<1>,2|C<4>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	116.1640	0.000	1	116.1640	0.000	1	117.5032	1.858	8	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	117.6946	1.351	7	117.6946	1.826	7	117.5032	1.858	8	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H)	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O)	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	119.8420	0.000	1	119.8420	0.000	1	119.8420	0.000	1	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.8585	0.688	2	117.8585	0.473	2	117.8585	0.473	2	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6]C[6]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	S(C[6]C[6]2)(N[6]C[6]2)(O)2	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.0170	0.000	1	118.5447	0.623	3	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.8085	0.910	2	118.5447	0.623	3	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.4120	0.000	1	119.4120	0.000	1	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.9000	0.000	1	119.9000	0.000	1	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,5|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	114.1880	0.000	1	114.1880	0.000	1	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	115.8630	0.000	1	115.8630	0.000	1	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){1|C<4>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.2020	0.000	1	118.2020	0.000	1	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.3580	0.000	1	119.3580	0.000	1	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6]C)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.6640	0.000	1	118.6640	0.000	1	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.1030	0.000	1	119.1030	0.000	1	118.2113	2.989	11	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	120.6280	0.000	1	120.6280	0.000	1	119.2065	4.041	2	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.7850	0.000	1	117.7850	0.000	1	119.2065	4.041	2	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO)	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO){1|C<4>,4|C<3>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.3650	0.000	1	117.3650	0.000	1	118.2138	0.450	4	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO)	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.6550	0.000	1	118.6550	0.000	1	118.2138	0.450	4	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO)	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.9980	0.000	1	117.9980	0.000	1	118.2138	0.450	4	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO)	C[6](N[6]C[6]H)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	C[6](N[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,1|P<4>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.8370	0.000	1	118.8370	0.000	1	118.2138	0.450	4	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	N[6]-3:N[6]-3:S-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]S)(SC[6a]OO)	C[6](N[6]C[6]H)(N[6]C[6]S)(S)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]N[6]S)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6]S)(S){1|C<3>,1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	122.6020	0.806	2	122.6020	0.650	2	122.6020	0.650	2	118.2830	3.280	33	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	S(N[6]C[6]2)(CH3)(O)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	S(N[6]C[6]2)(CH3)(O)2	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:2:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:O-2:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC){1|H<1>,1|O<2>,2|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	122.1020	0.000	1	122.1020	0.000	1	122.1020	0.000	1	120.1220	7.841	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:2:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:S-2:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(SC)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(SC){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.1420	0.000	1	118.1420	0.000	1	118.1420	0.000	1	120.1220	7.841	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	116.3101	3.074	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S)	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	116.3101	3.074	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	114.4550	0.000	1	114.4550	0.000	1	116.9245	4.892	4	116.3101	3.074	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.7920	0.048	2	118.7920	0.002	2	116.9245	4.892	4	116.3101	3.074	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	115.6590	0.000	1	115.6590	0.000	1	116.9245	4.892	4	116.3101	3.074	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	115.8220	0.000	1	115.8220	0.000	1	115.8220	0.000	1	116.3101	3.074	7	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:4:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-3:	N[6]-3:C-4:O-1:O-1:	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	S(N[6]C[6]2)(CH3)(O)2	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO){2|C<4>,2|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|C<4>,2|H<1>,2|O<2>}	S(N[6]C[6]2)(CH3)(O)2	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:4:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.1620	0.000	1	116.1620	0.000	1	118.7690	13.593	2	118.7690	13.593	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:4:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	121.3760	0.000	1	121.3760	0.000	1	118.7690	13.593	2	118.7690	13.593	2	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:O-1:O-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS)	S(N[6]C[6]2)(CH3)(O)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS){2|C<3>,2|H<1>}	S(N[6]C[6]2)(CH3)(O)2	116.3010	0.000	1	116.3010	0.000	1	116.3010	0.000	1	116.3010	0.000	1	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[3,6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O)	S(N[6]C[3,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	S(N[6]C[3,6]C[6])(C[6a]C[6a]2)(O)2	119.2380	0.000	1	119.2380	0.000	1	119.2380	0.000	1	118.1362	0.472	10	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O)	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O){1|C<3>,1|H<1>,3|C<4>}	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	117.0980	0.000	1	117.0980	0.000	1	117.0980	0.000	1	118.1362	0.472	10	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O){1|C<3>,2|C<4>,5|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.7323	0.332	3	117.7323	0.110	3	117.7323	0.110	3	118.1362	0.472	10	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.0490	0.157	2	118.0490	0.025	2	118.3658	0.245	5	118.1362	0.472	10	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.0160	0.000	1	119.0160	0.000	1	118.3658	0.245	5	118.1362	0.472	10	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]CC)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(O){1|C<3>,1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.9510	0.000	1	117.9510	0.000	1	118.3658	0.245	5	118.1362	0.472	10	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.7640	0.000	1	118.7640	0.000	1	118.3658	0.245	5	118.1362	0.472	10	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP2_SP2_SP3	N[6]	C[6]	S	4:3:4:	4:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	118.0326	4.411	169	118.0326	4.411	169
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:2:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	N[6]-3:O[6]-2:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.1830	0.000	1	117.1830	0.000	1	117.6448	0.606	4	117.6448	0.606	4	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.2630	0.000	1	118.2630	0.000	1	117.6448	0.606	4	117.6448	0.606	4	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.3440	0.000	1	118.3440	0.000	1	117.6448	0.606	4	117.6448	0.606	4	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.7890	0.000	1	116.7890	0.000	1	117.6448	0.606	4	117.6448	0.606	4	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	121.5290	0.000	1	121.5290	0.000	1	121.5290	0.000	1	121.5290	0.000	1	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:4:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	N[6]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	113.8720	0.000	1	113.8720	0.000	1	116.0443	3.540	3	116.0443	3.540	3	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	3:4:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	N[6]-3:C[6]-4:C-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6])	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6]){1|C<4>,1|O<2>,2|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.1305	0.025	2	117.1305	0.001	2	116.0443	3.540	3	116.0443	3.540	3	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	114.0810	3.538	2	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	112.7510	0.000	1	112.7510	0.000	1	112.7510	0.000	1	114.0810	3.538	2	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[3,6]-4:N[6]-3:C-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH){2|H<1>,3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.8790	0.000	1	116.8790	0.000	1	116.8790	0.000	1	117.7260	1.435	2	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:3:4:	4:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6,6]-4:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	117.7260	1.435	2	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:4:2:	3:3:1:	3:3:1:1:	C[6]-3:S-4:N[6]-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]N[6]S)(H)	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6]){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6]S)(H){1|C<3>,2|H<1>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.4220	0.000	1	118.4220	0.000	1	118.4220	0.000	1	118.4220	0.000	1	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	2:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	S[6]-2:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO){2|C<3>}	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS){1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|Fe<10>,1|O<1>,2|C<4>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	116.5550	0.000	1	116.5550	0.000	1	116.6321	0.006	7	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	116.6450	0.078	6	116.6450	0.006	6	116.6321	0.006	7	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6]C[6]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,4|H<1>}	S(C[6]C[6]2)(N[6]C[6]2)(O)2	118.1630	0.000	1	118.1630	0.000	1	118.1630	0.000	1	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.5480	0.000	1	116.5480	0.000	1	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H){1|C<4>,1|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	113.3765	0.429	2	113.3765	0.184	2	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.9750	0.000	1	118.9750	0.000	1	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	113.7150	0.000	1	113.7150	0.000	1	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	116.0580	0.000	1	116.0580	0.000	1	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	120.7130	0.209	2	119.5947	3.774	3	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,3|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.3580	0.000	1	119.5947	3.774	3	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.9870	1.022	2	117.8592	1.061	5	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	117.7740	1.253	3	117.8592	1.061	5	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]O[6]C)(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]C)(N[6]C[6]S)(H){1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	121.0760	0.000	1	121.0760	0.000	1	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.9380	0.000	1	118.9380	0.000	1	117.5089	6.275	16	117.2805	4.292	24	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:O-1:O-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	S(N[6]C[6]2)(CH3)(O)2	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	S(N[6]C[6]2)(CH3)(O)2	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:2:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]N[6])(SC[6a]OO)	C[6](C[6a]C[6a]2)(N[6]C[6,6]S)(N[6]N[6])	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]N[6])(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]S)(N[6]N[6]){1|C<4>,2|H<1>,5|C<3>}	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO)	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	S(N[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	117.0980	0.000	1	117.0980	0.000	1	117.0980	0.000	1	118.2745	0.671	4	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.5010	0.047	2	118.5010	0.002	2	118.6667	0.083	3	118.2745	0.671	4	117.4924	4.152	46	117.4924	4.152	46
856	762	952	0:SP3_SP2_SP3	N[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH)	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|N<3>,3|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH){1|C<4>,1|S<4>,2|H<1>}	S(C[6a]C[6a]2)(N[6]C[6]2)(O)2	118.9980	0.000	1	118.9980	0.000	1	118.6667	0.083	3	118.2745	0.671	4	117.4924	4.152	46	117.4924	4.152	46
856	762	953	0:SP2_SP-NON_SP2	N[6]	C[6]	I	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:I-2:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:	N[6](C[6]C[6]H)2(IN[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	I(N[6]C[6]2)2	N[6](C[6]C[6]H)2(IN[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	I(N[6]C[6]2)2	120.0348	1.034	38	120.0348	1.070	38	120.0348	1.070	38	120.0348	1.070	38	120.0348	1.070	38	120.0348	1.070	38
856	762	955	6:SP2_SP2_SP3	N[6]	C[6]	P[5,6]	4:3:4:	3:3:1:	3:3:2:1:	P[5,6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[5,6]-3:N[6]-3:O[5]-2:S-1:	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O)	P[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6]C)(O[5]C[5])(S)	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O){1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	P[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6]C)(O[5]C[5])(S){1|O<1>,2|C<3>,4|H<1>}	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1
856	762	956	0:SP2_SP2_SP2	N[6]	C[6,6]	N	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:C-3:H-1:	N[6](C[6,6]C[6,6]C[6])2(NCH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	N(N[6]C[6,6]2)(CC[6a]O)(H)	N[6](C[6,6]C[6,6]C[6])2(NCH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(N[6]C[6,6]2)(CC[6a]O)(H)	118.7343	0.647	4	118.7343	0.419	4	118.7343	0.419	4	118.7343	0.419	4	118.7343	0.419	4	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](C[6]N[6]C)(N[6]C[6]N)(O)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]N)(O){1|N<3>,1|S<1>}	N(N[6]C[6]2)(H)2	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	117.6270	3.328	2	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:N[6]-3:S-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	N(N[6]C[6]2)(H)2	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	117.6270	3.328	2	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H){1|Pd<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	116.3570	0.498	11	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]O)2(NCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	N(N[6]C[6]2)(CCO)(H)	N[6](C[6]C[6,6a]O)2(NCH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	N(N[6]C[6]2)(CCO)(H)	116.1660	0.690	2	116.1660	0.476	2	116.3937	0.537	10	116.3570	0.498	11	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]O)2(NCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6,6a]O)2(NCH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	N(N[6]C[6]2)(CC[6a]O)(H)	116.2202	0.985	4	116.2202	0.971	4	116.3937	0.537	10	116.3570	0.498	11	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6,6a]O)2(NCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	N(N[6]C[6]2)(CNS)(H)	N[6](C[6]C[6,6a]O)2(NCH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	N(N[6]C[6]2)(CNS)(H)	116.6810	0.546	4	116.6810	0.298	4	116.3937	0.537	10	116.3570	0.498	11	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:S-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	119.4400	0.000	1	119.4400	0.000	1	119.4400	0.000	1	119.4400	0.000	1	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:C-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(CC[6a]CH)(CCO)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){3|C<3>}	N(N[6]C[6]2)(CC[6a]CH)(CCO)	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(N[6]C[6]N)	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H){1|Pd<4>,4|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(N[6]C[6]N){1|H<1>,1|O<1>,4|C<3>}	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:C-4:C-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH)	N(N[6]C[6]2)(CC[6a]CH)(CCO)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH){2|H<1>,3|C<3>}	N(N[6]C[6]2)(CC[6a]CH)(CCO)	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C-4:	C[6a]-3:N[6]-3:S-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:2:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:S[6]-2:S-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH)	C[6](N[6]C[6]N)(S[6]C[6])(S)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH){1|C<4>,2|H<1>}	C[6](N[6]C[6]N)(S[6]C[6])(S){1|C<4>,4|H<1>}	N(N[6]C[6]2)(CC[6a]O)(H)	117.8320	0.000	1	117.8320	0.000	1	117.8320	0.000	1	117.8320	0.000	1	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:2:4:	3:1:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:N[6]-2:C-4:	N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]C)(NOO)	C[6](N[6]C[6]N)(N[6]C[6])(CN3)	N(N[6]C[6]2)(O)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(NOO){1|C<4>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(CN3){1|C<4>,4|H<1>}	N(N[6]C[6]2)(O)2	124.5630	0.615	2	124.5630	0.378	2	122.9570	7.927	3	122.9570	7.927	3	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:2:4:	3:1:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:N[6]-2:C-4:	N[6]-3:O-1:O-1:	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	N(N[6]C[6]2)(O)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	N(N[6]C[6]2)(O)2	119.7450	0.000	1	119.7450	0.000	1	122.9570	7.927	3	122.9570	7.927	3	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C[6a]-3:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O)	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	118.4010	0.000	1	118.4010	0.000	1	118.4010	0.000	1	119.3545	1.818	2	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:N[6]-3:H-1:	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	119.3545	1.818	2	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:3:1:	3:4:3:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:C-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(CC[6a]CH)(CCO)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(N[6]C[6]2)(CC[6a]CH)(CCO)	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]CH)(N[6]C[6]N)(O)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]N)(O){1|C<3>,3|H<1>}	N(N[6]C[6]2)(CC[6a]O)(H)	118.5970	0.000	1	118.5970	0.000	1	117.6030	1.976	2	117.6030	1.976	2	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP2	N[6]	C[6]	N	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	N(N[6]C[6]2)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|N<3>,2|H<1>}	N(N[6]C[6]2)(COO)(H)	116.6090	0.000	1	116.6090	0.000	1	117.6030	1.976	2	117.6030	1.976	2	118.0500	5.733	27	118.1383	5.065	31
856	762	956	0:SP2_SP2_SP3	N[6]	C[6,6]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:H-1:H-1:	N[6](C[6,6]C[6,6]C[6])2(NHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	N(N[6]C[6,6]2)(H)2	N[6](C[6,6]C[6,6]C[6])2(NHH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N(N[6]C[6,6]2)(H)2	119.3845	3.374	2	119.3845	11.381	2	119.3845	11.381	2	119.3845	11.381	2	119.3845	11.381	2	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(N[6]C[6]2)(H)2	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	117.9298	1.244	9	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(N[6]C[6]2)(H)2	119.1075	1.819	2	119.1075	3.310	2	119.1075	3.310	2	117.9298	1.244	9	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](C[6]C[6a]N[6])(N[6]C[6]N)(O)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(N[6]C[6]N)(O){1|N<3>,1|S<1>,2|C<3>}	N(N[6]C[6]2)(H)2	117.0880	0.482	2	117.0880	0.233	2	117.0653	0.118	3	117.9298	1.244	9	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](C[6]N[6]C)(N[6]C[6]N)(O)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]N)(O){1|N<3>,1|S<1>}	N(N[6]C[6]2)(H)2	117.0200	0.000	1	117.0200	0.000	1	117.0653	0.118	3	117.9298	1.244	9	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:N[6]-3:S-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	N(N[6]C[6]2)(H)2	117.4935	0.556	2	117.7573	0.364	3	117.7573	0.364	3	117.9298	1.244	9	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:N[6]-3:S-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	N(N[6]C[6]2)(H)2	118.2850	0.000	1	117.7573	0.364	3	117.7573	0.364	3	117.9298	1.244	9	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[5]-3:C[6]-3:N[6]-3:	N[6]-3:H-1:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH)	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N)	N(N[6]C[6]2)(H)2	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	N(N[6]C[6]2)(H)2	121.2090	1.563	2	121.2090	2.442	2	121.2090	2.442	2	118.2527	8.335	6	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[5a]-3:N[6]-3:	N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N){1|N<3>,2|H<1>,6|C<3>}	N(N[6]C[6]2)(H)2	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	118.2527	8.335	6	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N){2|H<1>,5|C<3>}	N(N[6]C[6]2)(H)2	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1	118.2527	8.335	6	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6]-3:H-1:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH)	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH)	N(N[6]C[6]2)(H)2	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH){3|C<3>}	N(N[6]C[6]2)(H)2	115.2440	1.626	2	115.2440	2.645	2	115.2440	2.645	2	118.2527	8.335	6	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH)	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3){1|O<1>,2|C<3>}	N(N[6]C[6]2)(H)2	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C[6a]-3:H-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O)	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	118.5560	0.000	1	118.5560	0.000	1	118.5560	0.000	1	118.5560	0.000	1	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:S-4:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	N(N[6]C[6]2)(SC[6a]OO)(H)	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:H-1:H-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH)	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O)	N(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O){1|C<3>,1|N<2>,2|C<4>}	N(N[6]C[6]2)(H)2	118.7420	0.000	1	118.7420	0.000	1	118.7420	0.000	1	118.7420	0.000	1	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|C<4>,2|H<1>}	N(N[6]C[6]2)(CC[6a]O)(H)	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP2_SP2_SP3	N[6]	C[6]	N	4:3:3:	4:3:1:	3:4:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C-4:C-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]HN)(N[6]C[6]N)(O)	N(N[6]C[6]2)(CH3)(CNO)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	N(N[6]C[6]2)(CH3)(CNO)	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	118.2049	3.044	21	118.3074	3.400	23
856	762	956	0:SP3_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:2:4:	3:1:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:N[6]-2:C-4:	N[6]-3:O-1:O-1:	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	N(N[6]C[6]2)(O)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	N(N[6]C[6]2)(O)2	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	117.1765	11.479	4	117.1765	11.479	4
856	762	956	0:SP3_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:3:1:	3:4:1:	C[5,6]-4:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:C-4:H-1:	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O)	N(N[6]C[5,6]C[6])(CC[6a]HH)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(N[6]C[5,6]C[6])(CC[6a]HH)(H)	118.4145	1.985	2	118.4145	3.940	2	118.4145	3.940	2	118.4145	3.940	2	117.1765	11.479	4	117.1765	11.479	4
856	762	956	0:SP3_SP2_SP2	N[6]	C[6]	N	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-3:H-1:	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N)	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N){2|O<2>,3|H<1>,4|C<3>}	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	117.1765	11.479	4	117.1765	11.479	4
856	762	961	0:SP2_SP2_SP3	N[6,6]	C[6]	S[6]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6]-3:S[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	115.3130	5.293	3	115.3130	5.293	3
856	762	961	0:SP2_SP2_SP3	N[6,6]	C[6]	S[6]	4:3:3:	3:4:1:	3:3:1:1:	S[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H){2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|H<1>,4|C<3>}	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	117.7930	0.000	1	115.3130	5.293	3	115.3130	5.293	3
856	762	961	0:SP2_SP2_SP3	N[6,6]	C[6]	S[6]	4:4:3:	3:3:1:	3:2:1:1:	C[6,6]-4:S[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6]-3:O[6]-2:O-1:O-1:	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O)	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|O<1>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|C<4>,1|O<1>,1|P<4>,3|C<3>}	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	115.3130	5.293	3	115.3130	5.293	3
856	762	961	0:SP3_SP2_SP3	N[6,6]	C[6]	S[6]	4:4:3:	3:3:3:	3:3:1:1:	C[6,6]-4:S[6]-4:C[6]-3:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H)	S[6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6]){2|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,4|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	115.3785	42.772	2
856	762	961	0:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:3:	3:2:2:	3:3:1:1:	S[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-2:C[6]-2:	C[6,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2	C[6](N[6]C[6]S[6])(C[6]C[6])2	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2{1|C<3>,5|C<2>}	C[6](N[6]C[6]S[6])(C[6]C[6])2{1|C<2>,2|O<1>,3|C<3>}	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2{1|C<3>,5|C<2>}	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	115.3785	42.772	2
856	762	961	6:SP2_SP2_SP3	N[6,6]	C[6,6]	S[6]	3:4:3:	3:2:3:	3:3:1:1:	C[6,6]-3:S[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H)	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	125.3320	0.000	1	125.3320	0.000	1	125.3320	0.000	1	125.3320	0.000	1	119.8384	11.804	5	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6,6]	C[6,6]	S[6]	3:4:4:	3:3:2:	3:3:1:1:	C[6,6]-3:S[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	N[6,6](C[6,6]C[6,6a]N[6])(S[6]C[6,6a]OO)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	N[6,6](C[6,6]C[6,6a]N[6])(S[6]C[6,6a]OO)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a]){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	119.8384	11.804	5	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6,6]	C[6,6]	S[6]	3:4:4:	3:3:3:	3:2:1:1:	C[6,6]-3:C[6]-4:S[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:O-1:O-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(S[6]O[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H)	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(S[6]O[6]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|C<4>,2|H<1>,3|C<3>}	119.0660	1.674	2	119.0660	2.804	2	119.0660	2.804	2	119.0660	2.804	2	119.8384	11.804	5	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6,6]	C[6,6]	S[6]	4:3:3:	3:3:3:	3:3:1:1:	S[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|H<1>,4|C<3>}	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	119.8384	11.804	5	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6,6]	S[6]	3:4:4:	3:4:3:	3:3:1:1:	C[6,6]-3:S[6]-4:C-4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	3:4:3:	3:2:3:	3:2:1:1:	C[6a]-3:S[6]-4:C[6]-3:	N[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-2:O-1:O-1:	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C)	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O)	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C){2|H<1>,3|C<3>}	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|N<2>,1|N<3>,3|C<3>}	118.5780	0.000	1	118.5780	0.000	1	118.5780	0.000	1	118.5780	0.000	1	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6a]-3:S[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP){2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	116.1775	1.380	2	116.1775	1.903	2	117.2583	2.197	4	117.8984	3.696	5	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6a]-3:S[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO){2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	118.3390	0.120	2	118.3390	0.014	2	117.2583	2.197	4	117.8984	3.696	5	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	3:4:3:	3:3:4:	3:3:1:1:	C[6a]-3:S[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C)	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3)	S[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)2	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C){3|C<3>,4|H<1>}	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3){1|C<4>,2|O<1>,3|C<3>}	S[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)2{2|C<4>,3|C<3>}	120.4590	0.000	1	120.4590	0.000	1	120.4590	0.000	1	117.8984	3.696	5	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	3:4:4:	3:3:1:	3:3:1:1:	C[6]-3:S[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O)	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2{1|O<1>,2|C<3>}	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:1:	3:3:1:	3:2:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:O[6]-2:O-1:O-1:	N[6](S[6]O[6]OO)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]S[6]H)(O)	S[6](N[6]C[6]H)(O[6]C[6])(O)2	N[6](S[6]O[6]OO)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]S[6]H)(O){1|C<4>,1|O<2>,2|O<1>}	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	121.7217	0.550	3	121.7217	0.302	3	121.7217	0.302	3	121.7217	0.302	3	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:1:	3:3:1:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]N[6,6]OO)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O)	S[6](N[6,6]C[3x6]C[6])(N[6]C[6]H)(O)2	N[6](S[6]N[6,6]OO)(C[6]N[6,6]O)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	S[6](N[6,6]C[3x6]C[6])(N[6]C[6]H)(O)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:1:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	118.3925	1.330	2	118.3925	1.769	2	117.9804	1.513	5	117.9804	1.513	5	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:1:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	116.1440	0.000	1	116.1440	0.000	1	117.9804	1.513	5	117.9804	1.513	5	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:1:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	118.4865	0.241	2	118.4865	0.058	2	117.9804	1.513	5	117.9804	1.513	5	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:1:	3:3:4:	3:2:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:O-1:O-1:	N[6](S[6]N[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3)	S[6](N[6]C[6]H)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]C)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	S[6](N[6]C[6]H)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	121.3090	0.000	1	121.3090	0.000	1	121.3090	0.000	1	121.3090	0.000	1	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	2:3:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	O[6]-2:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH)	C[6](O[6]C[6,6a])(N[6]S[6]C)(O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]S[6]C)(O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	2:3:2:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	S[6]-2:N[6]-3:N-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.8900	0.194	2	120.8900	0.038	2	120.8900	0.038	2	120.8900	0.038	2	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	2:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	113.0830	0.769	2	113.0830	0.592	2	113.0830	0.592	2	113.0830	0.592	2	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:1:	3:2:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:O-1:O-1:	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH)	C[6](C[6]C[6]C)(N[6]S[6]C)(H)	S[6](N[6]C[6]C)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH){2|C<3>}	C[6](C[6]C[6]C)(N[6]S[6]C)(H){1|C<4>,1|N<2>,2|O<1>}	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,1|C<4>,1|H<1>}	118.6030	0.000	1	118.6030	0.000	1	118.6030	0.000	1	118.6030	0.000	1	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|H<1>,3|C<3>}	117.7050	0.000	1	117.7050	0.000	1	117.7050	0.000	1	117.7050	0.000	1	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	115.5563	0.482	7	115.2992	0.632	10	115.2992	0.632	10	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	114.6993	1.174	3	115.2992	0.632	10	115.2992	0.632	10	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	112.7590	0.000	1	112.7590	0.000	1	113.5855	0.740	39	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	115.9960	0.000	1	115.9960	0.000	1	113.5855	0.740	39	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	113.9840	1.645	3	113.9840	2.705	3	113.5855	0.740	39	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO)	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2{4|C<3>}	112.7990	0.000	1	112.7990	0.000	1	113.5855	0.740	39	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2{4|C<3>}	112.2490	0.000	1	112.2490	0.000	1	113.5855	0.740	39	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	113.6321	0.548	15	113.5075	0.400	30	113.5855	0.740	39	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	113.3829	0.703	15	113.5075	0.400	30	113.5855	0.740	39	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	114.4275	0.397	2	114.4275	0.157	2	113.5855	0.740	39	113.9352	1.192	49	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:4:	3:2:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:O-1:O-1:	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3)	S[6](N[6]C[6]C)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	121.8220	0.813	2	121.8220	0.661	2	121.8220	0.661	2	121.8220	0.661	2	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP2_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:4:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	115.7355	9.067	76	115.9944	9.956	82
856	762	961	6:SP3_SP2_SP3	N[6,6]	C[6,6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,2|H<1>,4|C<3>}	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:1:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	117.2763	0.385	4	117.2763	0.148	4	116.5587	0.894	7	116.5587	0.894	7	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:1:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	115.6020	0.241	3	115.6020	0.058	3	116.5587	0.894	7	116.5587	0.894	7	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:3:	3:2:3:	3:3:1:1:	S[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-2:C[6]-3:	C[6,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2)	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2{1|C<3>,5|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>}	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2{1|C<3>,5|C<2>}	114.2140	0.000	1	114.2140	0.000	1	114.2140	0.000	1	114.2140	0.000	1	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:3:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|H<1>,6|C<3>}	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:3:	3:3:4:	3:3:1:1:	S[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[3]-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H){2|O<1>,4|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	116.6350	0.000	1	116.6350	0.000	1	116.6350	0.000	1	115.6005	2.140	2	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:3:	3:3:4:	3:3:1:1:	S[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH){2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	115.6005	2.140	2	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	2:3:2:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	S[6]-2:N[6]-3:N-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.5860	0.000	1	120.5860	0.000	1	120.5860	0.000	1	120.5860	0.000	1	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	2:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	S[6]-2:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	112.8077	0.682	3	112.8077	0.465	3	112.8077	0.465	3	112.8588	0.320	4	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	2:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	Se[6]-2:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]Se[6]C)(CH3)	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]Se[6]C)(CH3){2|C<3>}	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|Se<2>,1|H<1>,3|C<3>}	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	112.8588	0.320	4	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|H<1>,3|C<3>}	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	116.1753	0.334	3	116.1753	0.112	3	116.1753	0.112	3	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	115.7170	0.000	1	113.6484	3.180	5	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	113.1312	1.568	4	113.6484	3.180	5	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	113.8161	1.229	7	113.8161	1.511	7	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	113.5973	0.507	3	113.5973	0.257	3	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	114.2190	0.602	2	114.2190	0.363	2	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	112.7620	0.000	1	112.7620	0.000	1	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	114.5550	0.000	1	114.5550	0.000	1	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	113.2676	0.465	12	113.0489	0.554	42	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	112.9614	0.821	30	113.0489	0.554	42	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	961	6:SP3_SP2_SP3	N[6]	C[6]	S[6]	4:3:4:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	114.5600	0.800	2	114.5600	0.641	2	113.3123	0.938	63	113.4425	1.259	66	113.9069	2.886	83	113.9297	2.895	84
856	762	965	6:SP2_SP1_SP2	N[6]	C[6]	Si[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:Si[6]-2:	N[6]-3:C[6]-3:C-3:	N[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	Si[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	Si[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	127.3140	0.000	1	127.3140	0.000	1	127.3140	0.000	1	127.3140	0.000	1	127.4885	0.061	2	127.4885	0.061	2
856	762	965	6:SP2_SP1_SP2	N[6]	C[6]	Si[6]	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6]-3:Si[6]-2:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	Si[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	Si[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	127.6630	0.000	1	127.6630	0.000	1	127.6630	0.000	1	127.6630	0.000	1	127.4885	0.061	2	127.4885	0.061	2
856	762	966	6:SP2_SP2_SP2	N[6]	C[6]	As[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6]-3:As[6]-2:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6])	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	As[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6]){2|C<4>,5|C<3>}	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	As[6](N[6]C[6a]C[6])2{2|H<1>,5|C<3>}	119.8870	1.097	2	119.8870	1.204	2	119.8870	1.204	2	119.8870	1.204	2	119.8870	1.204	2	119.8870	1.204	2
856	762	969	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:Ga-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:Cl-1:Cl-1:	N[6](C[6]C[6]C)2(GaCl2)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	Ga(N[6]C[6]2)(Cl)2	N[6](C[6]C[6]C)2(GaCl2){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	Ga(N[6]C[6]2)(Cl)2	118.7095	0.520	2	118.7095	0.270	2	118.7095	0.270	2	118.2678	0.606	8	118.2678	0.606	8	118.2678	0.606	8
856	762	969	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:Ga-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:I-1:I-1:	N[6](C[6]C[6]C)2(GaII)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	Ga(N[6]C[6]2)(I)2	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	Ga(N[6]C[6]2)(I)2	117.8780	0.416	2	117.8780	0.173	2	118.1205	0.691	6	118.2678	0.606	8	118.2678	0.606	8	118.2678	0.606	8
856	762	969	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:Ga-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:I-1:I-1:	N[6](C[6]C[6]C)2(GaII)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	Ga(N[6]C[6]2)(I)2	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	Ga(N[6]C[6]2)(I)2	118.2417	1.017	4	118.2417	1.035	4	118.1205	0.691	6	118.2678	0.606	8	118.2678	0.606	8	118.2678	0.606	8
856	762	971	0:SP2_SP-NON_SP2	N[6]	C[6]	I	3:3:3:	3:3:1:	3:3:3:	I-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	I(C[6a]C[6a]2)(N[6]C[6]2)2	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)(N[6]C[6]2)2	119.3310	0.349	2	119.3310	0.122	2	119.7380	0.709	6	119.7380	0.709	6	119.6977	0.512	8	119.6977	0.512	8
856	762	971	0:SP2_SP-NON_SP2	N[6]	C[6]	I	3:3:3:	3:3:1:	3:3:3:	I-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](IC[6a]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	I(C[6a]C[6a]2)(N[6]C[6]2)2	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)(N[6]C[6]2)2	120.7110	0.115	2	119.9415	0.975	4	119.7380	0.709	6	119.7380	0.709	6	119.6977	0.512	8	119.6977	0.512	8
856	762	971	0:SP2_SP-NON_SP2	N[6]	C[6]	I	3:3:3:	3:3:1:	3:3:3:	I-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](IC[6a]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	I(C[6a]C[6a]2)(N[6]C[6]2)2	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(N[6]C[6]2)2	119.1720	0.737	2	119.9415	0.975	4	119.7380	0.709	6	119.7380	0.709	6	119.6977	0.512	8	119.6977	0.512	8
856	762	971	0:SP2_SP-NON_SP2	N[6]	C[6]	I	3:3:3:	3:3:2:	3:3:3:	I-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-2:	C[6a]-3:N[6]-3:N[6]-3:	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]I)(OC)	I(C[6a]C[6a]2)(N[6]C[6]2)2	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(N[6]C[6]2)2	119.5770	0.041	2	119.5770	0.002	2	119.5770	0.002	2	119.5770	0.002	2	119.6977	0.512	8	119.6977	0.512	8
856	762	981	0:SP2_SP2_SP3	N[6]	C[6]	B[3a]	4:3:3:	3:3:1:	3:3:3:3:	B[3a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[3a]-3:C[3a]-3:C[6a]-3:N[6]-3:	N[6](B[3a]C[3a]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H)	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[3a]C[3a]2C[6a])(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){2|C<4>,2|H<1>,8|C<3>}	121.6525	0.071	2	121.6525	0.005	2	121.6525	0.005	2	121.6525	0.005	2	121.6525	0.005	2	121.6525	0.005	2
856	762	983	0:SP2_SP1_SP2	N[6]	C[6]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6]-3:C-2:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H)	C(N[6]C[6,6a]C[6])(N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN){1|S<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H){2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(N)	120.3260	0.078	2	120.3260	0.006	2	120.3260	0.006	2	120.3260	0.006	2	119.6183	1.505	3	119.6183	1.505	3
856	762	983	0:SP2_SP1_SP2	N[6]	C[6]	C	3:4:2:	3:3:1:	3:1:	C[6]-3:C[6]-4:C-2:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:N-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O)	C(N[6]C[6]2)(N)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[6]C[6]2)(N)	118.2030	0.000	1	118.2030	0.000	1	118.2030	0.000	1	118.2030	0.000	1	119.6183	1.505	3	119.6183	1.505	3
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Br-1:Br-1:Br-1:	N[6](C[6]C[6]H)2(GaBr3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(Br)3	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Ga(N[6]C[6]2)(Br)3	120.2640	2.073	2	120.4731	4.830	8	120.4731	4.830	8	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Br-1:Br-1:Br-1:	N[6](C[6]C[6]H)2(GaBr3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(Br)3	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	Ga(N[6]C[6]2)(Br)3	120.5428	2.425	6	120.4731	4.830	8	120.4731	4.830	8	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	Ga(N[6]C[6]2)(Cl)3	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|C<4>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	Ga(N[6]C[6]2)(Cl)3	120.0475	0.552	2	120.0475	0.305	2	120.4028	1.284	10	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(Cl)3	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Ga(N[6]C[6]2)(Cl)3	120.3680	1.863	2	120.4565	2.159	6	120.4028	1.284	10	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(Cl)3	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	Ga(N[6]C[6]2)(Cl)3	120.5007	1.560	4	120.4565	2.159	6	120.4028	1.284	10	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	Ga(N[6]C[6]2)(Cl)3	N[6](C[6]C[6]H)2(GaCl3){1|N<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	Ga(N[6]C[6]2)(Cl)3	120.5970	0.332	2	120.5970	0.110	2	120.4028	1.284	10	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:H-1:	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	Ga(N[6]C[6]2)(Cl)2(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|C<4>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	Ga(N[6]C[6]2)(Cl)2(H)	120.1075	2.736	2	120.1075	7.485	2	120.5672	2.002	10	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:H-1:	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(Cl)2(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	Ga(N[6]C[6]2)(Cl)2(H)	120.3995	1.742	2	120.6821	1.429	8	120.5672	2.002	10	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:H-1:	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(Cl)2(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Ga(N[6]C[6]2)(Cl)2(H)	121.4285	1.913	2	120.6821	1.429	8	120.5672	2.002	10	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:Cl-1:Cl-1:H-1:	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(Cl)2(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Ga(N[6]C[6]2)(Cl)2(H)	120.4502	0.779	4	120.6821	1.429	8	120.5672	2.002	10	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:H-1:H-1:H-1:	N[6](C[6]C[6]H)2(GaH3)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	Ga(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(GaH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	Ga(N[6]C[6]2)(H)3	120.5740	1.217	3	120.5740	1.481	3	120.5740	1.481	3	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:I-1:I-1:I-1:	N[6](C[6]C[6]H)2(GaI3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(I)3	N[6](C[6]C[6]H)2(GaI3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Ga(N[6]C[6]2)(I)3	120.4595	2.751	2	120.4595	7.570	2	120.9730	4.939	4	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:I-1:I-1:I-1:	N[6](C[6]C[6]H)2(GaI3)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	Ga(N[6]C[6]2)(I)3	N[6](C[6]C[6]H)2(GaI3){1|N<2>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	Ga(N[6]C[6]2)(I)3	121.4865	2.488	2	121.4865	6.192	2	120.9730	4.939	4	120.5457	2.416	35	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:1:	3:4:4:2:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C-4:C-4:O-2:	N[6](C[6]C[6]H)2(GaCCO)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(N[6]C[6]2)(CH3)2(OC)	N[6](C[6]C[6]H)2(GaCCO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Ga(N[6]C[6]2)(CH3)2(OC)	121.2720	2.336	2	121.2720	5.458	2	121.2720	5.458	2	121.2720	5.458	2	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:3:	3:1:1:1:	C[6]-3:C[6]-3:Ga-4:	C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](C[6]C[6a]C[6])2(GaCl3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H)	Ga(N[6]C[6]2)(Cl)3	N[6](C[6]C[6a]C[6])2(GaCl3){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	Ga(N[6]C[6]2)(Cl)3	120.7030	0.079	2	120.7030	0.006	2	120.7030	0.006	2	120.7030	0.006	2	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	3:3:4:	3:3:4:	3:4:4:2:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:C-4:	N[6]-3:C-4:C-4:C-2:	N[6](C[6]C[6]C)2(GaC3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	Ga(N[6]C[6]2)(CCHH)2(CC)	N[6](C[6]C[6]C)2(GaC3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	Ga(N[6]C[6]2)(CCHH)2(CC)	121.0475	0.418	2	121.0475	0.175	2	121.0475	0.175	2	121.0475	0.175	2	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	4:3:3:	3:3:1:	3:3:1:1:	Ga-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	117.7900	0.000	1	117.7900	0.000	1	119.5100	2.402	3	119.5100	2.402	3	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	4:3:3:	3:3:1:	3:3:1:1:	Ga-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	N[6](GaC[6a]Cl2)(C[6]C[6]H)2	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	N[6](GaC[6a]Cl2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	120.3700	0.605	2	120.3700	0.366	2	119.5100	2.402	3	119.5100	2.402	3	120.5971	2.371	45	120.5971	2.371	45
856	762	984	0:SP2_SP-NON_SP2	N[6]	C[6]	Ga	4:3:3:	3:3:4:	3:3:1:1:	Ga-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	123.1970	0.000	1	123.1970	0.000	1	123.1970	0.000	1	123.1970	0.000	1	120.5971	2.371	45	120.5971	2.371	45
856	762	990	0:SP2_SP2_SP2	N[6]	C[6]	As	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:As-2:	N[6]-3:C[6]-3:H-1:	N[6]-3:N-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	As(N[6]C[6]2)(NC[6a]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	As(N[6]C[6]2)(NC[6a]C)	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	119.5505	0.001	2	119.5505	0.001	2
856	762	990	0:SP2_SP2_SP2	N[6]	C[6]	As	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6]-3:As-2:	C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:N-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H)	As(N[6]C[6]2)(NC[6a]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H){3|C<3>,3|H<1>}	As(N[6]C[6]2)(NC[6a]C)	119.5240	0.000	1	119.5240	0.000	1	119.5240	0.000	1	119.5240	0.000	1	119.5505	0.001	2	119.5505	0.001	2
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:S-2:S-1:S-1:	N[6](C[6]C[6]H)2(PS3)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)(SP)(S)2	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	P(N[6]C[6]2)(SP)(S)2	120.1205	1.641	8	120.1205	2.692	8	120.1165	2.066	12	120.1165	2.066	12	120.5231	1.082	42	120.5231	1.082	42
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:S-2:S-1:S-1:	N[6](C[6]C[6]H)2(PS3)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)(SS)(S)2	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	P(N[6]C[6]2)(SS)(S)2	120.1085	1.137	4	120.1085	1.294	4	120.1165	2.066	12	120.1165	2.066	12	120.5231	1.082	42	120.5231	1.082	42
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)2(PC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)2(PC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(N[6]C[6]2)(O)2	121.1352	0.461	4	121.1352	0.213	4	121.1352	0.213	4	120.7155	0.750	22	120.5231	1.082	42	120.5231	1.082	42
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)2(PN[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)2(O)2	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(N[6]C[6]2)2(O)2	120.8210	1.060	8	120.4557	1.048	12	120.4557	1.048	12	120.7155	0.750	22	120.5231	1.082	42	120.5231	1.082	42
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]H)2(PN[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)2(O)2	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	P(N[6]C[6]2)2(O)2	119.7250	0.393	4	120.4557	1.048	12	120.4557	1.048	12	120.7155	0.750	22	120.5231	1.082	42	120.5231	1.082	42
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:S-1:	N[6](C[6]C[6]H)2(PN[6]SS)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]H)2(PN[6]SS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(N[6]C[6]2)2(S)2	120.9553	0.588	6	120.9553	0.346	6	120.9553	0.346	6	120.7155	0.750	22	120.5231	1.082	42	120.5231	1.082	42
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:4:	3:3:1:	3:3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-2:O-1:	N[6](C[6]C[6]H)2(PC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	N[6](C[6]C[6]H)2(PC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	120.9500	0.887	2	120.9500	0.786	2	120.9500	0.786	2	120.9500	0.786	2	120.5231	1.082	42	120.5231	1.082	42
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	3:3:4:	3:3:1:	3:4:4:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C-4:C-4:S-1:	N[6](C[6]C[6]H)2(PCCS)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(N[6]C[6]2)(CH3)2(S)	N[6](C[6]C[6]H)2(PCCS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(N[6]C[6]2)(CH3)2(S)	120.6583	0.458	4	120.6583	0.210	4	120.6583	0.210	4	120.6583	0.210	4	120.5231	1.082	42	120.5231	1.082	42
856	762	992	0:SP2_SP2_SP3	N[6]	C[6]	P	4:3:3:	3:3:1:	3:3:1:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:Se-1:Se-1:	N[6](PC[6a]Se2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	P(C[6a]C[6a]2)(N[6]C[6]2)(Se)2	N[6](PC[6a]Se2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(N[6]C[6]2)(Se)2	120.1500	0.979	2	120.1500	0.958	2	120.1500	0.958	2	120.1500	0.958	2	120.5231	1.082	42	120.5231	1.082	42
856	762	996	6:SP2_SP2_SP3	N[6]	C[6]	Si[4,6]	4:3:4:	3:3:2:	4:3:2:3:	Si[4,6]-4:C[6]-3:C-4:	C[3x6]-3:N[6]-3:N-2:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3)	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC)	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3){1|Si<4>,1|Si<5>,1|C<4>,3|C<3>}	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1
856	770	856	0:SP2_SP2_SP2	N[6]	B	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:B-3:	N[6]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[6]-3:N[6]-3:	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2)	B(N[6]C[6]N[6])(C[6a]C[6a]2)2	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B)	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>,2|O<2>}	B(N[6]C[6]N[6])(C[6a]C[6a]2)2	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B){1|C<3>,2|C<4>,2|H<1>}	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1
856	786	914	6:SP2_SP2_SP3	N[6]	B[5,6]	N[6]	4:2:3:	3:2:2:2:	3:3:	B[5,6]-4:N[6]-2:P-3:	N[6]-3:O[5]-2:O[5]-2:O[6]-2:	N[6]-3:C[6]-3:	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PCC)	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6])	N[6](N[6]B[5,6]P)(C[6]C[6]H)	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PCC){1|C<3>,1|H<1>,2|C<4>}	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|O<2>,4|C<4>}	N[6](N[6]B[5,6]P)(C[6]C[6]H){4|O<2>}	122.5700	0.000	1	122.5700	0.000	1	123.9045	3.562	2	123.9045	3.562	2	123.9045	3.562	2	123.9045	3.562	2
856	786	914	6:SP2_SP2_SP3	N[6]	B[5,6]	N[6]	4:2:3:	3:2:2:2:	3:3:	B[5,6]-4:N[6]-2:P-3:	N[6]-3:O[5]-2:O[5]-2:O[6]-2:	N[6]-3:C[6]-3:	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PC[6a]2)	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6])	N[6](N[6]B[5,6]P)(C[6]C[6]H)	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|O<2>,4|C<4>}	N[6](N[6]B[5,6]P)(C[6]C[6]H){4|O<2>}	125.2390	0.000	1	125.2390	0.000	1	123.9045	3.562	2	123.9045	3.562	2	123.9045	3.562	2	123.9045	3.562	2
856	786	945	0:SP2_SP3_SP3	N[6]	B[5,6]	P	4:2:3:	3:2:2:2:	3:3:3:	B[5,6]-4:N[6]-2:P-3:	N[6]-3:O[5]-2:O[5]-2:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PC[6a]2)	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6])	P(N[6]B[5,6]N[6])(C[6a]C[6a]2)2	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|O<2>,4|C<4>}	P(N[6]B[5,6]N[6])(C[6a]C[6a]2)2	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	117.5195	2.643	2	117.5195	2.643	2
856	786	945	0:SP2_SP3_SP3	N[6]	B[5,6]	P	4:2:3:	3:2:2:2:	3:4:4:	B[5,6]-4:N[6]-2:P-3:	N[6]-3:O[5]-2:O[5]-2:O[6]-2:	N[6]-3:C-4:C-4:	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PCC)	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6])	P(N[6]B[5,6]N[6])(CC3)2	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PCC){1|C<3>,1|H<1>,2|C<4>}	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|O<2>,4|C<4>}	P(N[6]B[5,6]N[6])(CC3)2	118.6690	0.000	1	118.6690	0.000	1	118.6690	0.000	1	118.6690	0.000	1	117.5195	2.643	2	117.5195	2.643	2
856	811	914	6:SP2_SP2_SP3	N[6]	B[6,6a]	N[6]	4:3:2:	3:3:3:3:	3:3:	B[6,6a]-4:C[6a]-3:N[6]-2:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	N[6](N[6]B[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,2|B<3>,2|H<1>,6|C<3>}	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	N[6](N[6]B[6,6a]C[6a])(C[6]C[6a]N[6]){3|N<3>,4|C<3>}	125.7880	0.716	2	125.7880	0.512	2	125.7880	0.512	2	125.7880	0.512	2	125.7880	0.512	2	125.7880	0.512	2
856	811	951	0:SP2_SP-NON_SP3	N[6]	B[6,6a]	H	4:3:1:	3:2:2:3:	3:	B[6,6a]-4:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	N[6]-3:	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	H(N[6]B[6,6a]C[6])	N[6](B[6,6a]C[6,6a]O[6a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(N[6]B[6,6a]C[6])	118.9950	1.411	2	118.9950	1.992	2	118.9950	1.992	2	118.9950	1.992	2	118.9950	1.992	2	118.9950	1.992	2
856	813	951	0:SP3_SP-NON_SP2	N[6]	N[5a,6]	H	3:4:1:	3:2:3:	3:	N[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]N[5a,6]C[6])	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,3|C<4>}	H(N[6]N[5a,6]C[6])	104.7220	0.000	1	104.7220	0.000	1	105.3970	1.738	3	105.3970	1.738	3	106.4091	5.085	8	106.4091	5.085	8
856	813	951	0:SP3_SP-NON_SP2	N[6]	N[5a,6]	H	3:4:1:	3:2:3:	3:	N[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]N[5a,6]C[6])	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	H(N[6]N[5a,6]C[6])	106.9160	0.000	1	106.9160	0.000	1	105.3970	1.738	3	105.3970	1.738	3	106.4091	5.085	8	106.4091	5.085	8
856	813	951	0:SP3_SP-NON_SP2	N[6]	N[5a,6]	H	3:4:1:	3:2:3:	3:	N[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]N[5a,6]C[6])	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>}	H(N[6]N[5a,6]C[6])	104.5530	0.000	1	104.5530	0.000	1	105.3970	1.738	3	105.3970	1.738	3	106.4091	5.085	8	106.4091	5.085	8
856	813	951	0:SP3_SP-NON_SP2	N[6]	N[5a,6]	H	3:4:1:	3:3:2:	3:	N[5a,6]-3:C[5,6]-4:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a])	H(N[6]N[5a,6]C[5,6])	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	H(N[6]N[5a,6]C[5,6])	105.0190	0.000	1	105.0190	0.000	1	105.0190	0.000	1	105.1340	0.036	3	106.4091	5.085	8	106.4091	5.085	8
856	813	951	0:SP3_SP-NON_SP2	N[6]	N[5a,6]	H	3:4:1:	3:3:2:	3:	N[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a])	H(N[6]N[5a,6]C[6,6])	N[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	H(N[6]N[5a,6]C[6,6])	105.1915	0.227	2	105.1915	0.052	2	105.1915	0.052	2	105.1340	0.036	3	106.4091	5.085	8	106.4091	5.085	8
856	813	951	0:SP3_SP-NON_SP2	N[6]	N[5a,6]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:N[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H)	H(N[6]N[5a,6]C[5,6])	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>}	H(N[6]N[5a,6]C[5,6])	109.8400	0.745	2	109.8400	0.555	2	109.8400	0.555	2	109.8400	0.555	2	106.4091	5.085	8	106.4091	5.085	8
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6]-3:C[5,6]-3:C[5]-4:	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Br<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Br<1>,1|C<3>,1|N<2>}	122.5325	0.470	2	121.9477	0.684	9	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|C<4>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|C<4>,1|N<2>}	121.1805	0.887	2	121.9477	0.684	9	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	122.0206	0.803	5	121.9477	0.684	9	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.7810	0.000	2	121.5903	0.109	3	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	121.2090	0.000	1	121.5903	0.109	3	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Br<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Br<1>,1|C<3>,1|N<2>}	123.3360	0.000	1	123.0032	0.135	6	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<2>}	123.0620	0.000	2	123.0032	0.135	6	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|I<1>,1|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|I<1>,1|N<2>}	123.2530	0.000	1	123.0032	0.135	6	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	122.6530	0.499	2	123.0032	0.135	6	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CH3)	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CH3){2|Se<2>,1|C<3>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	123.1880	0.000	1	123.1880	0.000	1	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CH3)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	N[6](C[5,6]C[5,6]N[5])2(CH3){2|Se<2>,1|C<3>,2|S<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	121.7400	0.000	1	121.7400	0.000	1	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	818	6:SP2_SP2_SP2	N[6]	C[5,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CH3)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CH3){4|Se<2>,1|C<3>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	122.7030	0.000	1	122.7030	0.000	1	122.2833	0.661	21	122.2833	0.661	21	121.7226	4.055	23	121.7226	4.055	23
856	818	863	0:SP2_SP2_SP2	N[6,6]	C[5,6,6]	O	3:4:1:	4:3:3:	3:	C[5,6,6]-3:C[3x6]-4:O-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	N[6,6]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	O(N[6,6]C[5,6,6]C[3x6])	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O){1|H<1>,1|S<2>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	O(N[6,6]C[5,6,6]C[3x6])	126.1520	0.875	2	126.1520	0.766	2	126.1520	0.766	2	126.1520	0.766	2	126.1520	0.766	2	121.9735	23.543	4
856	818	863	0:SP2_SP2_SP2	N[6]	C[5,6]	O	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6,6a]-3:O-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O)	O(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|C<3>}	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O){4|C<3>,4|H<1>}	O(N[6]C[6,6a]C[5,6])	117.7950	0.157	2	117.7950	0.025	2	117.7950	0.025	2	117.7950	0.025	2	117.7950	0.025	2	121.9735	23.543	4
856	818	893	0:SP2_SP2_SP3	N[6,6]	C[5,6,6]	O	3:4:2:	4:3:3:	3:4:	C[5,6,6]-3:C[3x6]-4:O-2:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	N[6,6]-3:B-4:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H)	O(N[6,6]C[5,6,6]C[3x6])(BC[6a]3)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB){1|H<1>,1|S<2>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]O)(C[5]C[5]H){1|H<1>,5|C<3>}	O(N[6,6]C[5,6,6]C[3x6])(BC[6a]3)	120.3565	0.016	2	120.3565	0.000	2	120.3565	0.000	2	120.3565	0.000	2	120.3565	0.000	2	120.3565	0.000	2
856	818	930	0:SP2_SP2_SP2	N[6]	C[5,6]	C	3:4:3:	3:2:3:	3:3:1:	C[5,6]-3:C[6]-4:C-3:	N[5,6]-3:S[5]-2:N[6]-3:	N[6]-3:C-3:O-1:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]C)	C(N[6]C[5,6]C[6])(CCH)(O)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO){1|H<1>,2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[5,6]C[6])(CCH)(O)	117.8050	0.000	1	117.8050	0.000	1	117.8050	0.000	1	117.8050	0.000	1	120.8957	8.477	3	120.8957	8.477	3
856	818	930	0:SP2_SP2_SP2	N[6]	C[5,6]	C	3:4:3:	3:4:3:	3:1:1:	C[5,6]-3:C[6]-4:C-3:	N[5,6]-3:C[5]-4:N[6]-3:	N[6]-3:O-1:O-1:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(COO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(O)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(COO){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,8|H<1>}	C(N[6]C[5,6]C[6])(O)2	123.5870	0.000	1	123.5870	0.000	1	123.5870	0.000	1	123.5870	0.000	1	120.8957	8.477	3	120.8957	8.477	3
856	818	930	0:SP2_SP2_SP2	N[6]	C[5,6]	C	3:4:3:	3:4:3:	3:4:1:	C[5,6]-3:C[6]-4:C-3:	N[5,6]-3:C[5]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)	C(N[6]C[5,6]C[6])(CCHH)(O)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,8|H<1>}	C(N[6]C[5,6]C[6])(CCHH)(O)	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	120.8957	8.477	3	120.8957	8.477	3
856	818	930	0:SP3_SP2_SP2	N[6]	C[5,6]	C	3:4:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6]-4:C-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:C[6a]-3:N-2:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C){1|Cl<1>,3|H<1>,5|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	116.2160	0.000	1	116.2160	0.000	1	116.2160	0.000	1	116.2160	0.000	1	116.2160	0.000	1	116.2160	0.000	1
856	818	943	0:SP2_SP-NON_SP2	N[6]	C[5,6]	Ga[6]	3:4:2:	4:4:3:	3:2:4:4:	C[5,6]-3:Ga[6]-4:O[6]-2:	C[5,5,6]-4:C[5,6]-4:N[6]-3:	N[6]-3:O[6]-2:C-4:C-4:	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[6]Ga[6]O[6])	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6]){1|N<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[6]Ga[6]O[6]){1|Ga<4>,1|O<2>,3|C<4>,5|H<1>}	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2{1|Ga<4>,1|C<3>,2|C<4>}	133.7440	0.000	1	133.7440	0.000	1	133.7440	0.000	1	133.7440	0.000	1	133.7440	0.000	1	133.7440	0.000	1
856	818	951	0:SP2_SP-NON_SP2	N[6,6]	C[5,6,6]	H	3:4:1:	4:3:3:	3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	N[6,6]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H)	H(N[6,6]C[5,6,6]C[3x6])	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|S<2>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]H)(C[5]C[5]H){1|H<1>,5|C<3>}	H(N[6,6]C[5,6,6]C[3x6])	123.2350	0.000	1	123.2350	0.000	1	123.2350	0.000	1	123.2350	0.000	1	123.2350	0.000	1	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:2:	3:	C[5,6]-3:C[6,6]-3:H-1:	N[5,6]-3:N[6]-3:N[5]-2:	N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6]H)(N[5]N[5,6a])	H(N[6]C[5,6]C[6,6])	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6]H)(N[5]N[5,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[5,6]C[6,6])	120.6660	0.000	1	120.6660	0.000	1	120.9615	0.175	2	115.8430	87.282	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:2:	3:	C[5,6]-3:C[6,6]-3:H-1:	N[5,6]-3:N[6]-3:N[5]-2:	N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H)	C[5,6](N[5,6]N[5,6a]C[6])(N[6]C[6,6]H)(N[5]C[5,6a])	H(N[6]C[5,6]C[6,6])	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]N[5,6a]C[6])(N[6]C[6,6]H)(N[5]C[5,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[5,6]C[6,6])	121.2570	0.000	1	121.2570	0.000	1	120.9615	0.175	2	115.8430	87.282	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:2:	3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:N[5]-2:	N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H)	C[5,6](N[5,6]C[6]N[5])(N[6]C[6]H)(N[5]C[5])	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[6]N[5])(N[6]C[6]H)(N[5]C[5]){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(N[6]C[5,6]C[6])	101.8680	0.000	1	101.8680	0.000	1	101.8680	0.000	1	115.8430	87.282	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:2:	3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:S[5]-2:	N[6]-3:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5])	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[5,6]C[6])	119.5810	0.000	1	119.5810	0.000	1	119.5810	0.000	1	115.8430	87.282	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H){1|H<1>,1|O<1>,6|C<3>}	H(N[6]C[6,6a]C[5,6])	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(N[6]C[5,6]C[6])	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(N[6]C[5,6]C[6])	123.3680	0.000	1	123.3680	0.000	1	123.6502	2.164	4	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|Pt<6>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H){1|N<2>,1|N<3>,3|H<1>}	H(N[6]C[5,6]C[6])	121.6850	0.000	1	121.6850	0.000	1	123.6502	2.164	4	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)(H){1|Co<6>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	H(N[6]C[5,6]C[6])	124.7740	0.160	2	124.7740	0.026	2	123.6502	2.164	4	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(N[6]C[5,6]C[6])	120.0720	0.000	1	120.0720	0.000	1	120.5583	0.540	3	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6]C[5,6]C[6])	121.4040	0.000	1	120.8015	0.726	2	120.5583	0.540	3	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[5,6]C[6])	120.1990	0.000	1	120.8015	0.726	2	120.5583	0.540	3	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[5,6]C[6])	123.2470	4.484	2	123.2470	20.110	2	123.2470	20.110	2	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(N[6]C[6,6a]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H){1|B<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(N[6]C[6,6a]H){1|H<1>,7|C<3>}	H(N[6]C[6,6a]C[5,6])	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	121.8431	5.964	12	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	115.4510	0.000	1	115.4510	0.000	1	119.2917	4.162	7	119.3556	3.430	9	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[6,6a]C[5,6])	120.5830	0.011	2	120.5830	0.000	2	119.2917	4.162	7	119.3556	3.430	9	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	117.4410	0.000	1	117.4410	0.000	1	119.2917	4.162	7	119.3556	3.430	9	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[6,6a]C[5,6])	120.3280	0.347	3	120.3280	0.120	3	119.2917	4.162	7	119.3556	3.430	9	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6]-3:H-1:	N[5,6]-3:N[6]-3:C[5]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	120.6610	0.000	1	120.6610	0.000	1	119.5790	2.341	2	119.3556	3.430	9	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6]-3:H-1:	N[5,6]-3:N[6]-3:C[5]-4:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO){2|C<3>,6|H<1>}	H(N[6]C[6,6a]C[5,6])	118.4970	0.000	1	118.4970	0.000	1	119.5790	2.341	2	119.3556	3.430	9	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:4:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[5,6]C[6])	120.4390	0.000	1	120.4390	0.000	1	120.7305	0.170	2	120.5680	0.164	3	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:4:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(N[6]C[5,6]C[6])	121.0220	0.000	1	121.0220	0.000	1	120.7305	0.170	2	120.5680	0.164	3	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	3:4:3:	3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,7|H<1>}	H(N[6]C[5,6]C[6])	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	120.5680	0.164	3	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5]-4:C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	H(N[6]C[5,6]C[6])	121.7090	0.321	3	121.7090	0.103	3	121.4050	0.438	4	121.4050	0.438	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:C[6]-3:H-1:	C[5]-4:C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]N[6]N)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]C[5])(C[6]N[6]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H){1|N<2>,2|C<3>,2|N<3>,4|H<1>}	H(N[6]C[5,6]C[6])	120.4930	0.000	1	120.4930	0.000	1	121.4050	0.438	4	121.4050	0.438	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:3:2:	3:	C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:N[6]-3:S[5]-2:	N[6]-3:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]2C[6])(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5])	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]2C[6])(H){1|H<1>,7|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	H(N[6]C[5,6]C[6])	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:3:3:	3:	C[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(N[6]C[5,6]C[6])	125.2270	0.000	1	125.2270	0.000	1	125.2270	0.000	1	121.1405	8.466	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:3:3:	3:	C[5,6]-3:C[6]-4:H-1:	N[5,5,6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,5,6]N[5])(C[6]C[6]CC)(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(N[5]C[5]H)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,5,6]N[5])(C[6]C[6]CC)(H){3|C<4>,3|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(N[5]C[5]H)(N[6]C[6]H){1|O<2>,3|H<1>,5|C<4>}	H(N[6]C[5,6]C[6])	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	121.1405	8.466	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:3:3:	3:	C[5,6]-3:C[6]-4:H-1:	N[5,6,6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6,6]N[5])(C[6]C[6]CH)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6,6]N[5])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(N[6]C[6]H){4|C<4>,5|H<1>}	H(N[6]C[5,6]C[6])	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	121.1405	8.466	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:3:3:	3:	C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H){1|O<1>,2|C<4>,5|H<1>}	H(N[6]C[5,6]C[6])	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	121.1405	8.466	4	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:3:4:	3:	C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:N[6]-3:C[5]-4:	N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2N[6])(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH)	H(N[6]C[5,6]C[6,6])	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2N[6])(H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(N[6]C[5,6]C[6,6])	120.5670	0.000	1	120.5670	0.000	1	120.5670	0.000	1	120.5670	0.000	1	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:4:3:	3:	C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,8|H<1>}	H(N[6]C[5,6]C[6])	115.1320	0.000	1	115.1320	0.000	1	117.9225	15.574	2	117.9225	15.574	2	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:4:3:	3:	C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HP)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){1|P<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HP)(N[6]C[6]H){1|C<4>,8|H<1>}	H(N[6]C[5,6]C[6])	120.7130	0.000	1	120.7130	0.000	1	117.9225	15.574	2	117.9225	15.574	2	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP2_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	4:3:2:	3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(N[6]C[6]H)(N[5]C[5])	H(N[6]C[5,6]C[6])	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H){1|C<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(N[6]C[6]H)(N[5]C[5]){2|C<4>,7|H<1>}	H(N[6]C[5,6]C[6])	115.1350	0.000	1	115.1350	0.000	1	115.1350	0.000	1	115.1350	0.000	1	120.0982	13.956	41	120.1729	13.850	42
856	818	951	0:SP3_SP-NON_SP2	N[6]	C[5,6]	H	3:4:1:	3:3:3:	3:	C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:N[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H)	H(N[6]C[5,6]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(N[6]C[5,6]C[6])	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1
856	818	952	0:SP2_SP2_SP3	N[6]	C[5,6]	S	3:3:4:	4:3:2:	3:3:1:1:	C[6,6a]-3:C[5,6]-3:S-4:	C[3,5,6]-4:N[6]-3:N[5]-2:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO)	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a])	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a]){2|H<1>,5|C<3>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	118.6827	1.899	4	118.6827	1.899	4
856	818	952	0:SP2_SP2_SP3	N[6]	C[5,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6]-3:C[6]-4:S-4:	C[5,6]-3:C[5]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(N[6]C[6]S){3|C<4>,6|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	118.4500	2.524	3	118.6827	1.899	4	118.6827	1.899	4
856	818	952	0:SP2_SP2_SP3	N[6]	C[5,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6]-3:C[6]-4:S-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	119.3355	0.586	2	119.3355	0.344	2	119.3355	0.344	2	118.4500	2.524	3	118.6827	1.899	4	118.6827	1.899	4
856	818	952	0:SP3_SP2_SP3	N[6]	C[5,6,6]	S	3:4:4:	4:3:3:	3:3:1:1:	C[5,6,6]-3:C[6]-4:S-4:	C[5,5,6]-4:C[5,6,6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S)	S(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)2	119.2110	0.000	1	119.2110	0.000	1	119.2110	0.000	1	119.2110	0.000	1	119.2110	0.000	1	120.0425	1.383	2
856	818	952	0:SP3_SP2_SP3	N[6]	C[5,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6]-3:C[6]-4:S-4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	S(N[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	120.0425	1.383	2
856	846	952	0:SP2_SP2_SP3	N[6]	C[4,6]	S	3:4:4:	4:3:3:	3:3:1:1:	C[4,6]-3:C[6]-4:S-4:	C[4,6,6]-4:C[4]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO)	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(N[6]C[6]S)	S(N[6]C[4,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	S(N[6]C[4,6]C[6])(C[6a]C[6a]2)(O)2	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1
856	846	952	0:SP3_SP2_SP3	N[6]	C[4,6]	S	3:4:4:	4:3:3:	3:3:1:1:	C[4,6]-3:C[6]-4:S-4:	C[4,6,6]-4:C[4]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO)	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(N[6]C[6]S)	S(N[6]C[4,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	S(N[6]C[4,6]C[6])(C[6a]C[6a]2)(O)2	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1
856	849	849	0:SP2_SP3_SP3	N[6]	P[6]	P[6,6]	4:4:4:	3:2:2:1:	3:2:2:2:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|N<2>}	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	121.5480	0.000	1	121.5480	0.000	1	122.9340	1.441	3	122.9340	1.441	3	122.9340	1.441	3	122.9340	1.441	3
856	849	849	0:SP2_SP3_SP3	N[6]	P[6]	P[6,6]	4:4:4:	3:2:2:1:	3:2:2:2:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	P[6](N[6]P[6,6]C[6])(N[6]P[6])2(Cl)	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	P[6](N[6]P[6,6]C[6])(N[6]P[6])2(Cl){4|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|N<2>}	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){5|Cl<1>,1|C<4>,3|N<2>,4|H<1>}	123.6270	0.000	2	123.6270	0.000	2	122.9340	1.441	3	122.9340	1.441	3	122.9340	1.441	3	122.9340	1.441	3
856	849	849	0:SP3_SP3_SP3	N[6]	P[6]	P[6,6]	4:4:4:	3:2:2:1:	3:3:2:2:	P[6,6]-4:P[6]-4:C[6]-4:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)(C[6]C[6]HH)	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)(C[6]C[6]HH){2|C<4>,2|H<1>,4|P<4>}	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,2|H<1>,3|N<2>,3|N<3>}	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:1:	3:2:1:1:	3:2:1:1:	P[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)2(H)	P[6](N[6]P[6]H)(N[6]P[6])(Cl)2	P[6](N[6]P[6]H)(N[6]P[6])(Cl)2	N[6](P[6]N[6]Cl2)2(H){1|P<4>}	P[6](N[6]P[6]H)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	P[6](N[6]P[6]H)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:1:	3:2:3:3:	3:3:3:3:	P[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N[6]-3:N[6]-3:N-3:N-3:	N[6](P[6]N[6]NN)2(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2	P[6](N[6]P[6]H)2(NCH)2	N[6](P[6]N[6]NN)2(H){1|H<1>,1|P<4>}	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2{5|N<3>}	P[6](N[6]P[6]H)2(NCH)2{1|N<2>,4|N<3>}	129.9020	0.211	4	129.9020	0.045	4	129.9020	0.045	4	129.9020	0.045	4	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:1:1:	3:2:1:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)2(CH3)	P[6](N[6]P[6]C)(N[6]P[6])(Cl)2	P[6](N[6]P[6]C)(N[6]P[6])(Cl)2	N[6](P[6]N[6]Cl2)2(CH3){1|P<4>}	P[6](N[6]P[6]C)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	P[6](N[6]P[6]C)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	119.4533	4.302	3	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:1:1:	3:2:1:1:	P[6]-4:P[6]-4:Ga-4:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)2(GaCl3)	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2	N[6](P[6]N[6]Cl2)2(GaCl3){1|P<4>}	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	118.2560	0.051	2	118.2560	0.003	2	118.2560	0.003	2	119.4533	4.302	3	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:2:2:	3:2:2:2:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-2:N-2:N-2:	N[6]-3:N[6]-2:N-2:N-2:	N[6](P[6]N[6]NN)2(CH3)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:3:2:	3:2:3:3:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-2:N-3:N-2:	N[6]-3:N[6]-2:N-3:N-3:	N[6](P[6]N[6]NN)2(CH3)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6])	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6]){1|N<2>,4|N<3>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|N<2>,3|N<3>}	129.3900	0.000	2	129.3900	0.000	2	129.3900	0.000	2	129.3900	0.000	2	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:3:3:	3:2:3:3:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-2:N-3:N-3:	N[6]-3:N[6]-2:N-3:N-3:	N[6](P[6]N[6]NN)2(CH3)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]Li)(NC[6]H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]Li)(NC[6]H){1|N<2>,4|N<3>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{1|N<2>,4|N<3>}	127.7970	0.000	2	127.7970	0.000	2	127.7970	0.000	2	127.7970	0.000	2	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:3:2:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-3:O-2:S-1:	N[6]-3:N[6]-3:O-2:S-1:	N[6](P[6]N[6]OS)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])(S)	P[6](N[6]P[6]C)2(OC[6])(S)	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a])(S){1|N<3>,2|O<2>,2|S<1>}	P[6](N[6]P[6]C)2(OC[6])(S){1|N<3>,2|O<2>,2|S<1>}	124.7210	0.000	1	124.7210	0.000	1	124.7210	0.000	1	121.5475	9.719	4	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:3:2:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-3:O-2:Se-1:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])(Se)	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)2(CCHH){1|P<3>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a])(Se){1|Se<1>,1|N<3>,2|O<2>}	P[6](N[6]P[6]C)2(OC[6a])(Se){1|Se<1>,1|N<3>,2|O<2>}	117.2540	0.000	1	120.4897	7.865	3	120.4897	7.865	3	121.5475	9.719	4	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:3:2:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-3:O-2:Se-1:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])(Se)	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)2(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a])(Se){2|Se<1>,1|N<3>,2|O<2>}	P[6](N[6]P[6]C)2(OC[6a])(Se){2|Se<1>,1|N<3>,2|O<2>}	122.1075	0.161	2	120.4897	7.865	3	120.4897	7.865	3	121.5475	9.719	4	125.0631	20.763	17	125.0631	20.763	17
856	849	849	6:SP3_SP3_SP3	N[6]	P[6,6]	P[6]	4:4:1:	3:3:3:2:	3:2:3:3:	P[6,6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-2:N-3:N-3:	N[6](P[6,6]N[6]3)(P[6]N[6]NN)(H)	P[6,6](N[6]C[6]H)2(N[6]P[6]H)(N[6]P[6])	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2	N[6](P[6,6]N[6]3)(P[6]N[6]NN)(H){1|P<4>,2|C<4>,2|H<1>}	P[6,6](N[6]C[6]H)2(N[6]P[6]H)(N[6]P[6]){1|C<2>,1|N<2>,4|H<1>,4|N<3>}	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2{1|N<2>,4|N<3>}	127.6950	0.000	1	127.6950	0.000	1	127.6950	0.000	1	127.6950	0.000	1	127.6950	0.000	1	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:1:	3:3:1:1:	3:3:1:1:	P[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](P[6]N[6]OO)2(H)	P[6](N[6]P[6]H)2(O)2	P[6](N[6]P[6]H)2(O)2	N[6](P[6]N[6]OO)2(H){1|P<4>,2|H<1>}	P[6](N[6]P[6]H)2(O)2{1|N<3>,4|O<1>}	P[6](N[6]P[6]H)2(O)2{1|N<3>,4|O<1>}	124.2593	3.689	3	124.2593	13.609	3	124.2593	13.609	3	124.2593	13.609	3	121.0692	22.622	12	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:1:1:	3:2:1:1:	P[6]-4:P[6]-4:Ga-4:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)2(GaCl3)	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2	N[6](P[6]N[6]Cl2)2(GaCl3){1|P<4>}	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	118.3785	0.319	2	118.3785	0.102	2	118.3785	0.102	2	118.3785	0.102	2	121.0692	22.622	12	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:2:1:	3:2:1:1:	P[6]-4:P[6]-4:Ga-4:	N[6]-3:N[6]-2:N-2:Cl-1:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)(GaCl3)	P[6](N[6]P[6]Ga)(N[6]C[6])(NP)(Cl)	P[6](N[6]P[6]Ga)(N[6]C[6])(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)(GaCl3){1|C<3>}	P[6](N[6]P[6]Ga)(N[6]C[6])(NP)(Cl){2|Cl<1>,1|C<3>,1|N<2>}	P[6](N[6]P[6]Ga)(N[6]C[6])(Cl)2{1|Cl<1>,1|C<3>,2|N<2>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	121.0692	22.622	12	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:2:2:	3:2:2:2:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-2:N-2:N-2:	N[6]-3:N[6]-2:N-2:N-2:	N[6](P[6]N[6]NN)2(CH3)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{2|Cl<1>,3|N<2>}	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{2|Cl<1>,3|N<2>}	122.0710	0.000	1	123.4570	3.842	2	123.4570	3.842	2	123.4570	3.842	2	121.0692	22.622	12	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:2:2:	3:2:2:2:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-2:N-2:N-2:	N[6]-3:N[6]-2:N-2:N-2:	N[6](P[6]N[6]NN)2(CH3)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	124.8430	0.000	1	123.4570	3.842	2	123.4570	3.842	2	123.4570	3.842	2	121.0692	22.622	12	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:2:3:3:	3:2:3:3:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-2:N-3:N-3:	N[6]-3:N[6]-2:N-3:N-3:	N[6](P[6]N[6]NN)2(CH3)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	129.1850	0.000	1	129.1850	0.000	1	129.1850	0.000	1	129.1850	0.000	1	121.0692	22.622	12	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:3:2:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-3:O-2:S-1:	N[6]-3:N[6]-3:O-2:S-1:	N[6](P[6]N[6]OS)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])(S)	P[6](N[6]P[6]C)2(OC[6])(S)	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a])(S){1|N<3>,2|O<2>,2|S<1>}	P[6](N[6]P[6]C)2(OC[6])(S){1|N<3>,2|O<2>,2|S<1>}	115.7560	0.000	1	115.7560	0.000	1	117.2720	4.597	2	117.9280	3.589	3	121.0692	22.622	12	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:3:2:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-3:O-2:S-1:	N[6]-3:N[6]-3:O-2:S-1:	N[6](P[6]N[6]OS)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])(S)	P[6](N[6]P[6]C)2(OC[6a])(S)	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a])(S){1|N<3>,2|O<2>,2|S<1>}	P[6](N[6]P[6]C)2(OC[6a])(S){1|N<3>,2|O<2>,2|S<1>}	118.7880	0.000	1	118.7880	0.000	1	117.2720	4.597	2	117.9280	3.589	3	121.0692	22.622	12	121.5789	24.113	13
856	849	849	6:SP3_SP3_SP3	N[6]	P[6]	P[6]	4:4:4:	3:3:2:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:N[6]-3:O-2:Se-1:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)2(CCHH)	P[6](N[6]P[6]C)2(OC[6a])(Se)	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)2(CCHH){1|P<4>,2|C<4>}	P[6](N[6]P[6]C)2(OC[6a])(Se){2|Se<1>,1|N<3>,2|O<2>}	P[6](N[6]P[6]C)2(OC[6a])(Se){2|Se<1>,1|N<3>,2|O<2>}	119.2400	0.000	1	119.2400	0.000	1	119.2400	0.000	1	117.9280	3.589	3	121.0692	22.622	12	121.5789	24.113	13
856	849	856	6:SP3_SP2_SP3	N[6,6]	P[6]	N[6,6]	4:3:4:	3:3:2:1:	3:3:4:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:O-2:S-1:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S){1|C<3>,4|C<4>,4|H<1>}	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1
856	849	856	6:SP3_SP3_SP3	N[6,6]	P[6]	N[6,6]	4:3:4:	3:3:2:1:	3:3:4:	P[6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:N[6,6]-3:O-2:S-1:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S){1|C<3>,4|C<4>,4|H<1>}	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1
856	849	874	6:SP2_SP3_SP3	N[6]	P[6]	B[6]	4:3:4:	3:3:3:3:	3:3:1:1:	P[6]-4:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]Cl)	B[6](N[6]C[6a]P[6])2(H)2	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH){1|Cl<1>,1|P<4>,2|C<4>,7|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]Cl){1|N<3>,6|H<1>,8|C<3>}	B[6](N[6]C[6a]P[6])2(H)2{9|C<3>}	119.8275	2.019	2	119.8275	4.076	2	119.8275	4.076	2	119.8275	4.076	2	125.1186	35.875	5	125.1186	35.875	5
856	849	874	6:SP2_SP3_SP3	N[6]	P[6]	B[6]	4:4:3:	3:3:3:3:	3:3:3:3:	B[6]-4:P[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]C[6]P)	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){11|C<3>,1|P<3>,3|H<1>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]C[6]P){2|N<3>,4|H<1>,8|C<3>}	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<3>,4|F<1>,9|C<3>}	123.1020	0.000	1	123.1020	0.000	1	123.1020	0.000	1	128.6460	23.053	3	125.1186	35.875	5	125.1186	35.875	5
856	849	874	6:SP2_SP3_SP3	N[6]	P[6]	B[6]	4:4:3:	3:3:3:3:	3:3:3:3:	B[6]-4:P[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]C)	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){12|C<3>,1|P<4>,2|H<1>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]C){10|C<3>,1|N<3>,4|H<1>}	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2{13|C<3>,4|F<1>}	131.4180	0.048	2	131.4180	0.002	2	131.4180	0.002	2	128.6460	23.053	3	125.1186	35.875	5	125.1186	35.875	5
856	849	880	0:SP3_SP3_SP3	N[6,6]	P[6,6]	Si	3:4:4:	4:3:4:4:	3:4:4:4:	Ge[3x6]-3:P[6,6]-4:Si-4:	C[3x6]-4:N[6,6]-3:C-4:C-4:	N[6,6]-3:C-4:C-4:C-4:	N[6,6](Ge[3x6]C[4,6,6]N[3x6])(P[6,6]C[3x6]CC)(SiC3)	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2	Si(N[6,6]Ge[3x6]P[6,6])(CH3)3	N[6,6](Ge[3x6]C[4,6,6]N[3x6])(P[6,6]C[3x6]CC)(SiC3){1|Ge<3>,1|H<1>,1|P<4>,3|C<3>}	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2{1|C<3>,1|C<4>,2|N<3>}	Si(N[6,6]Ge[3x6]P[6,6])(CH3)3	128.9060	0.000	1	128.9060	0.000	1	128.9060	0.000	1	128.9060	0.000	1	128.9060	0.000	1	128.9060	0.000	1
856	849	943	6:SP2_SP-NON_SP3	N[6]	P[6]	Ga[6]	4:4:3:	3:3:3:3:	3:3:1:1:	P[6]-4:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:I-1:I-1:	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2)	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H)	Ga[6](N[6]C[6a]P[6])2(I)2	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H){1|N<3>,2|I<1>,4|H<1>,8|C<3>}	Ga[6](N[6]C[6a]P[6])2(I)2{9|C<3>}	114.3905	0.534	2	114.3905	0.285	2	114.3905	0.285	2	114.3905	0.285	2	114.3905	0.285	2	114.3905	0.285	2
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]P[6,6]C[6])	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	125.7535	25.155	2	117.6516	63.556	7	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H)	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H){2|C<3>,2|P<4>}	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	H(N[6]P[6,6]C[6])	129.3000	0.000	1	129.3000	0.000	1	129.3000	0.000	1	125.7535	25.155	2	117.6516	63.556	7	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(N[6]P[6,6]C[6])	113.4660	0.000	2	113.4660	0.000	2	113.2080	0.200	3	113.2080	0.200	3	117.6516	63.556	7	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]H)2(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|P<4>,3|H<1>}	P[6,6](N[6]C[6]H)2(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	H(N[6]P[6,6]C[6])	112.6920	0.000	1	112.6920	0.000	1	113.2080	0.200	3	113.2080	0.200	3	117.6516	63.556	7	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:3:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]H)2(N[6]P[6]H)(N[6]P[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]H)2(N[6]P[6]H)(N[6]P[6]){1|C<2>,1|N<2>,4|H<1>,4|N<3>}	H(N[6]P[6,6]C[6])	116.2150	12.694	2	116.2150	161.137	2	116.2150	161.137	2	116.2150	161.137	2	117.6516	63.556	7	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6]	H	3:4:1:	3:3:2:1:	3:	C[6,6a]-3:P[6]-4:H-1:	C[6]-3:N[6]-3:O-2:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6a])(O)	H(N[6]C[6,6a]P[6])	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6a])(O){1|H<1>,4|C<3>}	H(N[6]C[6,6a]P[6])	115.9237	3.897	3	115.9237	15.186	3	114.8155	15.036	4	114.8155	15.036	4	115.7179	13.574	16	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6]	H	3:4:1:	3:3:2:1:	3:	C[6,6a]-3:P[6]-4:H-1:	C[6]-3:N[6]-3:O-2:O-1:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H)	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6])(O)	H(N[6]C[6,6a]P[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H){5|C<3>}	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6])(O){1|H<1>,4|C<3>}	H(N[6]C[6,6a]P[6])	111.4910	0.000	1	111.4910	0.000	1	114.8155	15.036	4	114.8155	15.036	4	115.7179	13.574	16	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:2:1:1:	3:	P[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:	N[6](P[6]N[6]Cl2)2(H)	P[6](N[6]P[6]H)(N[6]P[6])(Cl)2	H(N[6]P[6]2)	N[6](P[6]N[6]Cl2)2(H){1|P<4>}	P[6](N[6]P[6]H)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	H(N[6]P[6]2)	117.7495	0.111	2	117.7495	0.012	2	117.7495	0.012	2	117.7495	0.012	2	115.7179	13.574	16	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:2:3:3:	3:	P[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N[6]-3:	N[6](P[6]N[6]NN)2(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2	H(N[6]P[6]2)	N[6](P[6]N[6]NN)2(H){1|H<1>,1|P<4>}	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2{5|N<3>}	H(N[6]P[6]2)	111.7165	2.778	4	111.7165	7.715	4	111.7165	7.715	4	111.7165	7.715	4	115.7179	13.574	16	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:3:3:1:	3:	C[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	P[6](N[6]C[6]H)2(NCH)(O)	H(N[6]C[6]P[6])	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	P[6](N[6]C[6]H)2(NCH)(O){1|C<4>,4|H<1>}	H(N[6]C[6]P[6])	118.4640	0.000	1	118.4640	0.000	1	118.9180	0.412	2	118.9180	0.412	2	115.7179	13.574	16	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:3:3:1:	3:	C[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	P[6](N[6]C[6]H)2(NC[6]C)(O)	H(N[6]C[6]P[6])	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	P[6](N[6]C[6]H)2(NC[6]C)(O){1|C<4>,4|H<1>}	H(N[6]C[6]P[6])	119.3720	0.000	1	119.3720	0.000	1	118.9180	0.412	2	118.9180	0.412	2	115.7179	13.574	16	116.3064	27.416	23
856	849	951	0:SP2_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:3:3:3:	3:	P[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:N-3:N-3:	N[6]-3:	N[6](P[6]N[6]NN)2(H)	P[6](N[6]P[6]H)2(NCH)2	H(N[6]P[6]2)	N[6](P[6]N[6]NN)2(H){1|H<1>,1|P<4>}	P[6](N[6]P[6]H)2(NCH)2{1|N<2>,4|N<3>}	H(N[6]P[6]2)	118.0060	2.446	4	118.0060	5.981	4	118.0060	5.981	4	118.0060	5.981	4	115.7179	13.574	16	116.3064	27.416	23
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:2:3:3:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-2:N[6]-2:N[6]-3:N[6]-3:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H)	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>,4|O<2>}	H(N[6]P[6,6]C[6])	112.5295	4.211	2	112.5295	17.731	2	112.5295	17.731	2	112.5295	17.731	2	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]P[6,6]C[6])	121.3500	0.000	1	113.1582	10.563	17	113.1582	10.563	17	113.8731	19.140	18	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	H(N[6]P[6,6]C[6])	113.7242	0.367	6	113.1582	10.563	17	113.1582	10.563	17	113.8731	19.140	18	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,3|O<2>,4|H<1>}	H(N[6]P[6,6]C[6])	112.0804	3.404	8	113.1582	10.563	17	113.1582	10.563	17	113.8731	19.140	18	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|O<2>,2|N<2>,2|S<2>,4|H<1>}	H(N[6]P[6,6]C[6])	111.6760	2.121	2	113.1582	10.563	17	113.1582	10.563	17	113.8731	19.140	18	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H)	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H){2|C<3>,2|P<4>}	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	H(N[6]P[6,6]C[6])	126.0260	0.000	1	126.0260	0.000	1	126.0260	0.000	1	113.8731	19.140	18	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	2:3:3:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|H<1>}	H(N[6]P[6,6]C[6])	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:2:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(N[6]P[6,6]C[6])	116.4750	0.000	1	119.8938	37.540	6	119.8938	37.540	6	119.8938	37.540	6	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:2:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(N[6]P[6,6]C[6])	118.9410	0.000	1	119.8938	37.540	6	119.8938	37.540	6	119.8938	37.540	6	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:2:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(N[6]P[6,6]C[6])	117.8260	0.000	1	119.8938	37.540	6	119.8938	37.540	6	119.8938	37.540	6	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:2:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(N[6]P[6,6]C[6])	125.1715	9.909	2	119.8938	37.540	6	119.8938	37.540	6	119.8938	37.540	6	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:2:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6]-3:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	H(N[6]P[6,6]C[6])	115.7780	0.000	1	119.8938	37.540	6	119.8938	37.540	6	119.8938	37.540	6	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	H(N[6]P[6,6]C[6])	111.6650	0.000	1	113.7754	30.705	14	113.8344	28.564	15	113.8344	28.564	15	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	H(N[6]P[6,6]C[6])	109.5360	1.319	2	113.7754	30.705	14	113.8344	28.564	15	113.8344	28.564	15	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|O<2>}	H(N[6]P[6,6]C[6])	110.9270	0.000	1	113.7754	30.705	14	113.8344	28.564	15	113.8344	28.564	15	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(N[6]P[6,6]C[6])	120.3905	0.500	2	113.7754	30.705	14	113.8344	28.564	15	113.8344	28.564	15	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(N[6]P[6,6]C[6])	110.0526	4.083	5	113.7754	30.705	14	113.8344	28.564	15	113.8344	28.564	15	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	H(N[6]P[6,6]C[6])	120.0493	1.880	3	113.7754	30.705	14	113.8344	28.564	15	113.8344	28.564	15	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:2:2:	3:	P[6,6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	P[6,6](N[6]C[6]H)2(N[6]P[6])2	H(N[6]P[6,6]C[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|P<4>,3|H<1>}	P[6,6](N[6]C[6]H)2(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	H(N[6]P[6,6]C[6])	114.6600	0.000	1	114.6600	0.000	1	113.8344	28.564	15	113.8344	28.564	15	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6,6]	H	4:4:1:	3:3:3:2:	3:	P[6,6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-2:	N[6]-3:	N[6](P[6,6]N[6]3)(P[6]N[6]NN)(H)	P[6,6](N[6]C[6]H)2(N[6]P[6]H)(N[6]P[6])	H(N[6]P[6,6]P[6])	N[6](P[6,6]N[6]3)(P[6]N[6]NN)(H){1|P<4>,2|C<4>,2|H<1>}	P[6,6](N[6]C[6]H)2(N[6]P[6]H)(N[6]P[6]){1|C<2>,1|N<2>,4|H<1>,4|N<3>}	H(N[6]P[6,6]P[6])	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	114.6718	27.049	43	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:2:3:1:	3:	C[6]-4:P[6]-4:H-1:	N[6]-3:O[6]-2:C-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(P[6]O[6]CO)(H)	P[6](N[6]C[6]H)(O[6]C[6])(CCH)(O)	H(N[6]C[6]P[6])	N[6](C[6]C[6]HH)(P[6]O[6]CO)(H){1|C<4>,2|H<1>}	P[6](N[6]C[6]H)(O[6]C[6])(CCH)(O){1|C<4>,4|H<1>}	H(N[6]C[6]P[6])	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	115.1565	0.297	2	114.9234	6.491	17	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:2:3:1:	3:	C[6]-4:P[6]-4:H-1:	N[6]-3:O[6]-2:N-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(P[6]O[6]NO)(H)	P[6](N[6]C[6]H)(O[6]C[6])(NCC)(O)	H(N[6]C[6]P[6])	N[6](C[6]C[6]HH)(P[6]O[6]NO)(H){1|C<4>,2|H<1>}	P[6](N[6]C[6]H)(O[6]C[6])(NCC)(O){1|C<4>,4|H<1>}	H(N[6]C[6]P[6])	115.5420	0.000	1	115.5420	0.000	1	115.5420	0.000	1	115.1565	0.297	2	114.9234	6.491	17	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:2:3:3:	3:	P[6,6]-4:P[6]-4:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N[6]-3:	N[6](P[6,6]N[6]3)(P[6]N[6]NN)(H)	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2	H(N[6]P[6,6]P[6])	N[6](P[6,6]N[6]3)(P[6]N[6]NN)(H){1|P<4>,2|C<4>,2|H<1>}	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2{1|N<2>,4|N<3>}	H(N[6]P[6,6]P[6])	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	114.9234	6.491	17	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:3:1:1:	3:	P[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6]-3:	N[6](P[6]N[6]OO)2(H)	P[6](N[6]P[6]H)2(O)2	H(N[6]P[6]2)	N[6](P[6]N[6]OO)2(H){1|P<4>,2|H<1>}	P[6](N[6]P[6]H)2(O)2{1|N<3>,4|O<1>}	H(N[6]P[6]2)	114.8385	3.876	6	114.8385	15.026	6	114.8385	15.026	6	114.8385	15.026	6	114.9234	6.491	17	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:3:3:1:	3:	C[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	P[6](N[6]C[6]H)2(NCH)(O)	H(N[6]C[6]P[6])	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	P[6](N[6]C[6]H)2(NCH)(O){1|C<4>,4|H<1>}	H(N[6]C[6]P[6])	116.1432	0.798	5	116.1432	0.637	5	114.8936	4.028	8	114.8936	4.028	8	114.9234	6.491	17	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:3:3:1:	3:	C[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	P[6](N[6]C[6]H)2(NC[6]C)(O)	H(N[6]C[6]P[6])	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	P[6](N[6]C[6]H)2(NC[6]C)(O){1|C<4>,4|H<1>}	H(N[6]C[6]P[6])	113.9510	0.000	1	113.9510	0.000	1	114.8936	4.028	8	114.8936	4.028	8	114.9234	6.491	17	114.7431	21.028	60
856	849	951	0:SP3_SP-NON_SP3	N[6]	P[6]	H	4:4:1:	3:3:3:1:	3:	C[6]-4:P[6]-4:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N[6]-3:	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	P[6](N[6]C[6]H)2(NC[6a]H)(O)	H(N[6]C[6]P[6])	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|C<4>,3|H<1>}	P[6](N[6]C[6]H)2(NC[6a]H)(O){1|C<4>,4|H<1>}	H(N[6]C[6]P[6])	112.2410	1.697	2	112.2410	2.880	2	114.8936	4.028	8	114.8936	4.028	8	114.9234	6.491	17	114.7431	21.028	60
856	849	952	0:SP2_SP3_SP3	N[6]	P[6]	S	4:4:4:	2:3:4:1:	3:3:1:1:	C[6]-4:P[6]-4:S-4:	O[6]-2:N[6]-3:C-4:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO)	P[6](O[6]C[6,6a])(N[6]C[6]S)(CC3)(O)	S(N[6]C[6]P[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO){2|C<3>}	P[6](O[6]C[6,6a])(N[6]C[6]S)(CC3)(O){1|C<4>,1|H<1>,2|C<3>}	S(N[6]C[6]P[6])(C[6a]C[6a]2)(O)2	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1
856	849	984	0:SP2_SP-NON_SP3	N[6]	P[6]	Ga	4:4:4:	3:2:1:1:	3:1:1:1:	P[6]-4:P[6]-4:Ga-4:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)2(GaCl3)	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2	Ga(N[6]P[6]2)(Cl)3	N[6](P[6]N[6]Cl2)2(GaCl3){1|P<4>}	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	Ga(N[6]P[6]2)(Cl)3	120.8713	0.179	4	120.8713	0.032	4	120.8713	0.032	4	120.8713	0.032	4	120.8713	0.032	4	120.8713	0.032	4
856	849	984	0:SP3_SP-NON_SP3	N[6]	P[6]	Ga	4:4:4:	3:2:1:1:	3:1:1:1:	P[6]-4:P[6]-4:Ga-4:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)(GaCl3)	P[6](N[6]P[6]Ga)(N[6]C[6])(Cl)2	Ga(N[6]P[6]2)(Cl)3	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)(GaCl3){1|C<3>}	P[6](N[6]P[6]Ga)(N[6]C[6])(Cl)2{1|Cl<1>,1|C<3>,2|N<2>}	Ga(N[6]P[6]2)(Cl)3	124.2540	0.000	1	124.2540	0.000	1	121.4704	2.445	5	121.4704	2.445	5	121.6132	2.078	6	121.6132	2.078	6
856	849	984	0:SP3_SP-NON_SP3	N[6]	P[6]	Ga	4:4:4:	3:2:1:1:	3:1:1:1:	P[6]-4:P[6]-4:Ga-4:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)2(GaCl3)	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2	Ga(N[6]P[6]2)(Cl)3	N[6](P[6]N[6]Cl2)2(GaCl3){1|P<4>}	P[6](N[6]P[6]Ga)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	Ga(N[6]P[6]2)(Cl)3	120.7745	0.176	4	120.7745	0.031	4	121.4704	2.445	5	121.4704	2.445	5	121.6132	2.078	6	121.6132	2.078	6
856	849	984	0:SP3_SP-NON_SP3	N[6]	P[6]	Ga	4:4:4:	3:2:2:1:	3:1:1:1:	P[6]-4:P[6]-4:Ga-4:	N[6]-3:N[6]-2:N-2:Cl-1:	N[6]-3:Cl-1:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)(GaCl3)	P[6](N[6]P[6]Ga)(N[6]C[6])(NP)(Cl)	Ga(N[6]P[6]2)(Cl)3	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)(GaCl3){1|C<3>}	P[6](N[6]P[6]Ga)(N[6]C[6])(NP)(Cl){2|Cl<1>,1|C<3>,1|N<2>}	Ga(N[6]P[6]2)(Cl)3	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	121.6132	2.078	6	121.6132	2.078	6
856	856	856	6:SP2_SP2_SP2	N[6]	N[6]	N[6]	3:3:3:	4:3:3:	3:2:3:	N[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6]-3:N[6]-2:C-3:	N[6](N[6]C[6]C)(N[6]N[6]C)(COO)	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO)	N[6](N[6]N[6]C)(N[6]C[6])(CCO)	N[6](N[6]C[6]C)(N[6]N[6]C)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO){1|N<2>,2|C<3>}	N[6](N[6]N[6]C)(N[6]C[6])(CCO){1|C<4>,2|C<3>}	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1
856	856	863	0:SP2_SP2_SP2	N[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6]O)(O)	N[6](C[6]C[6]H)(N[6]C[6]O)(O)	O(N[6]C[6]N[6])	N[6](C[6]C[6]H)(N[6]C[6]O)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(N[6]C[6]O)(O){1|C<3>,2|H<1>}	O(N[6]C[6]N[6])	116.4095	0.132	2	116.4095	0.017	2	116.4095	0.017	2	116.4095	0.017	2	116.4095	0.017	2	116.4095	0.017	2
856	856	874	6:SP2_SP2_SP3	N[6,6]	N[6,6]	B[6]	3:4:3:	3:4:3:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|C<4>,1|H<1>,4|C<3>}	123.9756	0.770	7	124.2347	1.135	12	124.2347	1.135	12	124.2347	1.135	12	123.9684	1.419	14	123.9684	1.419	14
856	856	874	6:SP2_SP2_SP3	N[6,6]	N[6,6]	B[6]	3:4:3:	3:4:3:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,1|N<3>,4|C<3>}	122.5350	0.000	1	124.2347	1.135	12	124.2347	1.135	12	124.2347	1.135	12	123.9684	1.419	14	123.9684	1.419	14
856	856	874	6:SP2_SP2_SP3	N[6,6]	N[6,6]	B[6]	3:4:3:	3:4:3:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,1|H<1>,5|C<3>}	125.8185	0.180	2	124.2347	1.135	12	124.2347	1.135	12	124.2347	1.135	12	123.9684	1.419	14	123.9684	1.419	14
856	856	874	6:SP2_SP2_SP3	N[6,6]	N[6,6]	B[6]	3:4:3:	3:4:3:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|B<4>,2|H<1>,4|C<3>}	124.8840	0.000	1	124.2347	1.135	12	124.2347	1.135	12	124.2347	1.135	12	123.9684	1.419	14	123.9684	1.419	14
856	856	874	6:SP2_SP2_SP3	N[6,6]	N[6,6]	B[6]	3:4:3:	3:4:3:	3:3:1:1:	N[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	N[5a,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(F)2{1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	123.9310	0.000	1	124.2347	1.135	12	124.2347	1.135	12	124.2347	1.135	12	123.9684	1.419	14	123.9684	1.419	14
856	856	874	6:SP2_SP2_SP3	N[6,6]	N[6,6]	B[6]	4:3:3:	4:3:3:	3:3:3:3:	B[6]-4:N[6,6]-3:C[6]-3:	B[6]-4:N[6,6]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H)	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(C[6a]C[6a]2)2	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,9|C<3>}	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,9|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6,6]N[6,6]C[6])(C[6a]C[6a]2)2{1|B<4>,6|H<1>,8|C<3>}	122.3710	0.066	2	122.3710	0.004	2	122.3710	0.004	2	122.3710	0.004	2	123.9684	1.419	14	123.9684	1.419	14
856	856	874	6:SP3_SP3_SP3	N[6]	N[6]	B[6]	4:3:3:	3:3:4:	3:3:3:3:	B[6]-4:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH)	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|N<2>,2|H<1>,8|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH){1|N<3>,6|C<3>}	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2{1|C<4>,4|H<1>,9|C<3>}	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1
856	856	914	6:SP2_SP2_SP2	N[6]	N[6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:	N[6](N[6]N[6]C)(N[6]C[6])(CCO)	N[6](N[6]C[6]C)(N[6]N[6]C)(COO)	N[6](C[6]C[6a]C[6])(N[6]N[6]C)	N[6](N[6]N[6]C)(N[6]C[6])(CCO){1|C<4>,2|C<3>}	N[6](N[6]C[6]C)(N[6]N[6]C)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]N[6]C){1|N<3>,2|H<1>,3|C<3>}	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1
856	856	914	6:SP3_SP2_SP3	N[6]	N[6]	N[6]	3:3:2:	3:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	B[6,6a]-3:N[6]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]N[6,6a]C[6a])(N[6]C[6a]N[6])	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2){1|B<3>,1|B<4>,2|H<1>,6|C<3>}	N[6](C[6]N[6,6a]C[6a])(N[6]C[6a]N[6]){1|B<3>,1|B<4>,5|C<3>}	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1
856	856	927	6:SP3_SP2_SP3	N[6]	N[6]	B[6,6a]	3:3:3:	3:3:2:	3:3:3:	B[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:N[6a]-3:N[6]-3:	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2){1|B<3>,1|B<4>,2|H<1>,6|C<3>}	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	98.3691	0.000	1	98.3691	0.000	1	98.3691	0.000	1	98.3691	0.000	1	98.3691	0.000	1	98.3691	0.000	1
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:3:	3:4:1:	N[6]-3:N[6]-2:C-3:	N[6]-3:N[6]-3:C-3:	N[6]-3:C-4:O-1:	N[6](N[6]N[6]C)(N[6]C[6])(CCO)	N[6](N[6]C[6]C)(N[6]N[6]C)(COO)	C(N[6]N[6]2)(CH3)(O)	N[6](N[6]N[6]C)(N[6]C[6])(CCO){1|C<4>,2|C<3>}	N[6](N[6]C[6]C)(N[6]N[6]C)(COO){1|C<3>,2|H<1>}	C(N[6]N[6]2)(CH3)(O)	119.6800	0.000	1	119.6800	0.000	1	119.6800	0.000	1	119.6800	0.000	1	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:N[6]-3:C-3:	N[6]-3:N[6]-2:C-3:	N[6]-3:O-2:O-1:	N[6](N[6]C[6]C)(N[6]N[6]C)(COO)	N[6](N[6]N[6]C)(N[6]C[6])(CCO)	C(N[6]N[6]2)(OC)(O)	N[6](N[6]C[6]C)(N[6]N[6]C)(COO){1|C<3>,2|H<1>}	N[6](N[6]N[6]C)(N[6]C[6])(CCO){1|C<4>,2|C<3>}	C(N[6]N[6]2)(OC)(O)	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:O-2:O-1:	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(N[6]C[6]N[6])(OC)(O)	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	C(N[6]C[6]N[6])(OC)(O)	115.6693	0.834	3	115.6693	0.696	3	115.6693	0.696	3	115.6693	0.696	3	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-3:H-1:	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	C(N[6]C[6]N[6])(CCH)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	C(N[6]C[6]N[6])(CCH)(H)	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]C)(N[6]C[6]C)(COO)	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO){1|O<1>,2|C<3>}	C(N[6]C[6]N[6])(OC)(O)	122.6050	0.000	1	122.6050	0.000	1	119.6990	16.890	2	118.5917	12.123	3	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]H)(N[6]C[6]C)(COO)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO){2|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO){1|C<3>,1|H<1>,1|O<1>}	C(N[6]C[6]N[6])(OC)(O)	116.7930	0.000	1	116.7930	0.000	1	119.6990	16.890	2	118.5917	12.123	3	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](N[6]C[6]C)(N[6]N[6]C)(COO)	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO)	C(N[6]N[6]2)(OC)(O)	N[6](N[6]C[6]C)(N[6]N[6]C)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO){1|N<2>,2|C<3>}	C(N[6]N[6]2)(OC)(O)	116.3770	0.000	1	116.3770	0.000	1	116.3770	0.000	1	118.5917	12.123	3	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:4:3:	3:4:3:	3:2:1:	N[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C)	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C){3|C<3>,4|H<1>}	C(N[6]C[6]N[6])(OC)(O)	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(N[6]C[6]C)(COO){2|Br<1>,1|C<3>,1|H<1>}	C(N[6]C[6]N[6])(OC)(O)	120.7880	0.000	1	120.7880	0.000	1	119.1290	5.505	2	119.1183	2.753	3	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO)	N[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO){1|O<1>,2|C<3>}	N[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<3>,1|N<3>,2|H<1>}	C(N[6]C[6]N[6])(OC)(O)	117.4700	0.000	1	117.4700	0.000	1	119.1290	5.505	2	119.1183	2.753	3	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	N[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO)	N[6](N[6]C[6]C)(N[6]N[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO){1|N<2>,2|C<3>}	N[6](N[6]C[6]C)(N[6]N[6]C)(COO){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(OC)(O)	119.0970	0.000	1	119.0970	0.000	1	119.0970	0.000	1	119.1183	2.753	3	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C(N[6]C[6]N[6])(CH3)(O)	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	C(N[6]C[6]N[6])(OC)(O)	120.9445	0.671	2	120.9445	0.450	2	121.3120	0.378	4	121.3120	0.378	4	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO)	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6]N[6])(OC)(O)	121.4110	0.000	1	121.4110	0.000	1	121.3120	0.378	4	121.3120	0.378	4	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]N[6])(OC)(O)	121.9480	0.000	1	121.9480	0.000	1	121.3120	0.378	4	121.3120	0.378	4	118.2654	9.286	19	118.2654	9.286	19
856	856	930	0:SP2_SP2_SP3	N[6,6]	N[6,6]	C	4:3:3:	3:4:4:	3:3:1:	C[6,6]-4:N[6,6]-3:C-3:	N[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:N-3:O-1:	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO)	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH)	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO){1|C<3>,1|O<2>,7|H<1>}	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	121.5880	0.000	1	121.5880	0.000	1	121.5880	0.000	1	121.5880	0.000	1	121.5880	0.000	1	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6,6]	C	3:4:3:	4:4:3:	3:3:1:	N[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O)	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	118.7080	0.000	1	118.7080	0.000	1	120.4247	6.111	3	120.4247	6.111	3	120.4247	6.111	3	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6,6]	C	3:4:3:	4:4:3:	3:3:1:	N[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C(N[6]N[6,6]C[6])(C[6a]C[6a]2)(O)	121.2830	2.793	2	121.2830	7.801	2	120.4247	6.111	3	120.4247	6.111	3	120.4247	6.111	3	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH)	C(N[6]C[6]N[6])(CCHH)(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(N[6]C[6]N[6])(CCHH)(O)	118.5800	0.000	1	118.5800	0.000	1	117.9970	3.397	4	117.9970	3.397	4	118.5640	3.690	7	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)	C(N[6]C[6]N[6])(CC3)(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(N[6]C[6]N[6])(CC3)(O)	120.2230	0.000	1	120.2230	0.000	1	117.9970	3.397	4	117.9970	3.397	4	118.5640	3.690	7	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)	C(N[6]C[6]N[6])(CCHH)(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(N[6]C[6]N[6])(CCHH)(O)	115.9030	0.000	1	115.9030	0.000	1	117.9970	3.397	4	117.9970	3.397	4	118.5640	3.690	7	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:C-4:	N[6]-3:C-4:O-1:	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3)	C(N[6]C[6]N[6])(CClHH)(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6]N[6])(CClHH)(O)	117.2820	0.000	1	117.2820	0.000	1	117.9970	3.397	4	117.9970	3.397	4	118.5640	3.690	7	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	116.9720	0.000	1	116.9720	0.000	1	116.9720	0.000	1	118.4415	4.319	2	118.5640	3.690	7	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:H-1:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	118.4415	4.319	2	118.5640	3.690	7	119.3464	4.716	11
856	856	930	0:SP2_SP2_SP3	N[6]	N[6]	C	4:3:3:	4:3:1:	3:4:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:H-1:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO)	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]N[6])(CH3)(O)	121.0770	0.000	1	121.0770	0.000	1	121.0770	0.000	1	121.0770	0.000	1	118.5640	3.690	7	119.3464	4.716	11
856	856	930	0:SP3_SP2_SP2	N[6]	N[6]	C	4:3:3:	3:4:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6]N[6])(OC)(O)	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1
856	856	930	0:SP3_SP2_SP3	N[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	C(N[6]C[6]N[6])(OC[6a])(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	C(N[6]C[6]N[6])(OC[6a])(O)	115.3035	0.384	2	115.3035	0.147	2	115.3035	0.147	2	115.3035	0.147	2	116.1323	5.224	6	116.1323	5.224	6
856	856	930	0:SP3_SP2_SP3	N[6]	N[6]	C	3:4:3:	3:4:3:	3:4:1:	N[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[6]N[6])(CCHH)(O)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){3|C<3>,5|H<1>}	C(N[6]C[6]N[6])(CCHH)(O)	114.1300	0.617	2	114.1300	0.380	2	114.1300	0.380	2	114.1300	0.380	2	116.1323	5.224	6	116.1323	5.224	6
856	856	930	0:SP3_SP2_SP3	N[6]	N[6]	C	4:3:3:	3:4:3:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C(N[6]C[6]N[6])(OC)(O)	118.9635	0.408	2	118.9635	0.166	2	118.9635	0.166	2	118.9635	0.166	2	116.1323	5.224	6	116.1323	5.224	6
856	856	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO)	H(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6a]N[6])	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	119.2198	14.565	8	119.2198	14.565	8
856	856	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]N[6])	115.3290	0.000	1	115.3290	0.000	1	116.0295	0.981	2	116.0295	0.981	2	119.2198	14.565	8	119.2198	14.565	8
856	856	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|O<1>,2|C<4>}	H(N[6]C[6]N[6])	116.7300	0.000	1	116.7300	0.000	1	116.0295	0.981	2	116.0295	0.981	2	119.2198	14.565	8	119.2198	14.565	8
856	856	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	H(N[6]C[6]N[6])	121.4600	0.017	2	121.4600	0.000	2	121.4600	0.000	2	121.4600	0.000	2	119.2198	14.565	8	119.2198	14.565	8
856	856	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]N[6]C)(N[6]C[6]H)(H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]N[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<4>}	H(N[6]C[6]N[6])	120.9835	0.039	2	120.9835	0.002	2	120.9835	0.002	2	120.9835	0.002	2	119.2198	14.565	8	119.2198	14.565	8
856	856	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	H(N[6]C[6,6]N[6])	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	H(N[6]C[6,6]N[6])	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	119.2198	14.565	8	119.2198	14.565	8
856	856	951	0:SP2_SP-NON_SP3	N[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:C-4:	N[6]-3:	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H)	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	H(N[6]C[6]N[6])	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	116.5207	4.192	7	116.5207	4.192	7
856	856	951	0:SP2_SP-NON_SP3	N[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)	H(N[6]C[6]N[6])	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|H<1>}	H(N[6]C[6]N[6])	116.3550	0.409	2	116.3550	0.167	2	116.5805	5.001	6	116.5805	5.001	6	116.5207	4.192	7	116.5207	4.192	7
856	856	951	0:SP2_SP-NON_SP3	N[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	H(N[6]C[6]N[6])	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(N[6]C[6]N[6])	114.9360	2.916	2	114.9360	8.504	2	116.5805	5.001	6	116.5805	5.001	6	116.5207	4.192	7	116.5207	4.192	7
856	856	951	0:SP2_SP-NON_SP3	N[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]O[6]S)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	H(N[6]C[6]N[6])	N[6](C[6]O[6]S)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	H(N[6]C[6]N[6])	118.4505	1.957	2	118.4505	3.828	2	116.5805	5.001	6	116.5805	5.001	6	116.5207	4.192	7	116.5207	4.192	7
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(N[6]C[6]N[6])	103.3955	2.265	2	103.3955	5.130	2	106.2083	26.301	3	106.2083	26.301	3	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6]N[6])	111.8340	0.000	1	111.8340	0.000	1	106.2083	26.301	3	106.2083	26.301	3	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	H(N[6]C[6,6]N[6])	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	H(N[6]C[6,6]N[6])	123.7980	0.000	1	123.7980	0.000	1	123.7980	0.000	1	123.7980	0.000	1	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3)	H(N[6]C[5,6]N[6])	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<3>,3|O<1>}	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(N[6]C[5,6]N[6])	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	108.2354	6.883	17	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,3|N<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	109.1345	4.161	2	109.1345	17.317	2	107.9119	5.445	16	108.2354	6.883	17	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	107.5380	4.684	2	107.5380	21.939	2	107.9119	5.445	16	108.2354	6.883	17	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	107.6685	0.185	2	107.6685	0.034	2	107.9119	5.445	16	108.2354	6.883	17	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	109.6133	1.473	4	109.6133	2.169	4	107.9119	5.445	16	108.2354	6.883	17	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	106.1090	0.709	2	106.5760	2.041	6	107.9119	5.445	16	108.2354	6.883	17	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	106.8320	1.592	2	106.5760	2.041	6	107.9119	5.445	16	108.2354	6.883	17	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|N<2>}	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	106.7870	2.551	2	106.5760	2.041	6	107.9119	5.445	16	108.2354	6.883	17	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO)	H(N[6]C[6]N[6])	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6]N[6])	109.2190	0.000	1	109.2190	0.000	1	106.1273	7.726	3	106.1273	7.726	3	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO)	H(N[6]C[6]N[6])	N[6](C[6]C[6]CH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	H(N[6]C[6]N[6])	105.3280	0.000	1	105.3280	0.000	1	106.1273	7.726	3	106.1273	7.726	3	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	N[6]-3:	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6]N[6])	103.8350	0.000	1	103.8350	0.000	1	106.1273	7.726	3	106.1273	7.726	3	108.3670	19.375	24	108.3670	19.375	24
856	856	951	0:SP3_SP-NON_SP3	N[6]	N[6,6]	H	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH)	H(N[6]C[6,6]N[6,6])	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(N[6]C[6,6]N[6,6])	107.4605	1.363	4	107.4605	1.858	4	107.4605	1.858	4	107.4605	1.858	4	107.4605	1.858	4	107.2124	2.361	14
856	856	951	0:SP3_SP-NON_SP3	N[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)	H(N[6]C[6]N[6])	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|N<3>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|N<2>}	H(N[6]C[6]N[6])	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	107.1131	2.753	10	107.2124	2.361	14
856	856	951	0:SP3_SP-NON_SP3	N[6]	N[6]	H	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(N[6]C[6]N[6])	107.9495	1.522	2	107.9495	2.318	2	107.9495	2.318	2	107.9495	2.318	2	107.1131	2.753	10	107.2124	2.361	14
856	856	951	0:SP3_SP-NON_SP3	N[6]	N[6]	H	4:3:1:	4:3:1:	3:	C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H)	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H)	H(N[6]C[6,6]N[6])	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	H(N[6]C[6,6]N[6])	106.1307	1.527	3	106.1307	2.332	3	106.1307	2.332	3	106.4456	1.476	5	107.1131	2.753	10	107.2124	2.361	14
856	856	951	0:SP3_SP-NON_SP3	N[6]	N[6]	H	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	N[6]-3:	N[6](C[6]N[6]CC)(N[6]C[6]H)(H)	N[6](C[6]N[6]CC)(N[6]C[6]H)(H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]CC)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]N[6]CC)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	H(N[6]C[6]N[6])	106.9180	0.703	2	106.9180	0.494	2	106.9180	0.494	2	106.4456	1.476	5	107.1131	2.753	10	107.2124	2.361	14
856	856	951	0:SP3_SP-NON_SP3	N[6]	N[6]	H	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	N[6]-3:	N[6](C[6]N[6]HH)(N[6]C[6]C)(H)	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)	H(N[6]C[6]N[6])	N[6](C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3){1|N<3>,3|H<1>}	H(N[6]C[6]N[6])	106.3230	1.073	2	106.3230	1.152	2	106.3230	1.152	2	106.3230	1.152	2	107.1131	2.753	10	107.2124	2.361	14
856	856	952	0:SP3_SP3_SP3	N[6]	N[6,6]	S	4:3:4:	4:3:4:	3:3:1:1:	C[5,6]-4:N[6,6]-3:S-4:	C[6,6]-4:N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO)	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	S(N[6]C[5,6]N[6,6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S(N[6]C[5,6]N[6,6])(C[6a]C[6a]2)(O)2	110.9340	2.363	4	110.9340	5.581	4	110.9340	5.581	4	110.9340	5.581	4	110.9340	5.581	4	110.9340	5.581	4
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	2:3:1:	3:	3:3:	N[6]-2:C[6]-3:O-1:	N[6]-3:	C[5,6]-3:N[6]-3:	N[6](N[6]C[5,6])(C[6]N[6]N)(O)	O(N[6]C[6]N[6])	N[6](C[5,6]N[5,6]N[5])(N[6]C[6]O)	N[6](N[6]C[5,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	O(N[6]C[6]N[6])	N[6](C[5,6]N[5,6]N[5])(N[6]C[6]O){1|C<3>,1|N<2>,2|N<3>}	120.4945	0.443	2	120.4945	0.197	2	120.4945	0.197	2	120.4700	0.100	3	118.7418	1.898	19	118.7418	1.898	19
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	2:3:1:	3:	3:3:	N[6]-2:C[6]-3:O-1:	N[6]-3:	C[5a,6]-3:N[6]-3:	N[6](N[6]C[5a,6])(C[6]N[6]N)(O)	O(N[6]C[6]N[6])	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]O)	N[6](N[6]C[5a,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	O(N[6]C[6]N[6])	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]O){1|C<3>,1|N<3>,2|N<2>}	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	120.4700	0.100	3	118.7418	1.898	19	118.7418	1.898	19
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	3:2:1:	3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	N[6]-3:	C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	O(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	O(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O){1|H<1>,4|C<3>}	118.4920	0.000	1	118.4920	0.000	1	118.2547	0.044	3	118.4309	1.785	14	118.7418	1.898	19	118.7418	1.898	19
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	3:2:1:	3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	N[6]-3:	C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	O(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,1|N<2>,3|C<3>}	O(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O){1|N<2>,3|C<3>}	118.1360	0.065	2	118.1360	0.004	2	118.2547	0.044	3	118.4309	1.785	14	118.7418	1.898	19	118.7418	1.898	19
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	3:2:1:	3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	N[6]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	O(N[6]C[6,6a]N[6])	N[6](N[6]C[6,6a]O)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(N[6]C[6,6a]N[6])	N[6](N[6]C[6,6a]O)(C[6]N[6]N){2|C<3>}	117.8800	0.000	1	117.8800	0.000	1	117.8800	0.000	1	118.4309	1.785	14	118.7418	1.898	19	118.7418	1.898	19
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:O-1:	N[6]-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5])(N[6]C[6])(O)	O(N[6]C[6]N[6])	N[6](C[6]C[6,6a]H)(N[6]C[6]O)	N[6](C[6]C[6,6a]C[5])(N[6]C[6])(O){1|H<1>,2|C<3>,2|N<3>}	O(N[6]C[6]N[6])	N[6](C[6]C[6,6a]H)(N[6]C[6]O){3|C<3>}	115.7150	0.192	2	115.7150	0.037	2	118.5389	2.512	10	118.4309	1.785	14	118.7418	1.898	19	118.7418	1.898	19
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:O-1:	N[6]-3:	C[6]-3:N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(O)	O(N[6]C[6]N[6])	N[6](C[6]N[6]2)(N[6]C[6]O)	N[6](C[6]N[6]N)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	O(N[6]C[6]N[6])	N[6](C[6]N[6]2)(N[6]C[6]O){2|C<3>,2|N<3>}	118.8485	0.472	4	118.8485	0.223	4	118.5389	2.512	10	118.4309	1.785	14	118.7418	1.898	19	118.7418	1.898	19
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	3:2:1:	3:	3:3:	C[6]-3:N[6]-2:O-1:	N[6]-3:	C[6]-3:N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(O)	O(N[6]C[6]N[6])	N[6](C[6]N[6]H)(N[6]C[6]O)	N[6](C[6]N[6]N)(N[6]C[6])(O){1|H<1>,1|N<2>,1|O<1>}	O(N[6]C[6]N[6])	N[6](C[6]N[6]H)(N[6]C[6]O){2|N<3>}	119.6412	0.485	4	119.6412	0.235	4	118.5389	2.512	10	118.4309	1.785	14	118.7418	1.898	19	118.7418	1.898	19
856	863	914	0:SP2_SP2_SP2	N[6]	O	N[6]	3:2:1:	3:	3:4:	C[6,6a]-3:N[6]-2:O-1:	N[6]-3:	N[6]-3:C[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	O(N[6]C[6,6a]N[6])	N[6](N[6]C[6,6a]O)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(N[6]C[6,6a]N[6])	N[6](N[6]C[6,6a]O)(C[6]N[6]CC){1|H<1>,2|C<3>}	118.3255	0.317	2	118.3255	0.101	2	118.3255	0.101	2	118.3255	0.101	2	118.7418	1.898	19	118.7418	1.898	19
856	874	914	0:SP2_SP2_SP3	N[6,6]	B[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6,6]-3:B[6]-4:N[6]-2:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2	N[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]N)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6]){1|N<3>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6,6]C[6,6]N[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	N[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]N){1|N<2>,1|N<3>,2|C<3>,2|F<1>}	113.2060	0.000	1	113.2060	0.000	1	113.2060	0.000	1	113.2060	0.000	1	113.2060	0.000	1	113.2060	0.000	1
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	3:2:4:	3:2:1:1:	3:3:	C[6a]-3:N[6]-2:B[6]-4:	N[6]-3:O[6]-2:F-1:F-1:	C[6,6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF)	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF){2|H<1>,4|C<3>}	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2{4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6]){1|O<2>,2|F<1>,5|C<3>}	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6])	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2	N[6](N[6]C[6a]B[6])(C[6]C[5,6]C)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6]){1|C<2>,1|H<1>,5|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2{1|S<2>,5|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[5,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	127.8150	0.000	1	127.8150	0.000	1	127.8150	0.000	1	121.6903	6.366	31	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:N[6]-3:F-1:F-1:	C[6,6]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6])	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2	N[6](C[6,6]C[5,6]C[6,6])(N[6]C[6a]B[6])	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6]){2|H<1>,5|C<3>}	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2{1|O<2>,3|C<3>}	N[6](C[6,6]C[5,6]C[6,6])(N[6]C[6a]B[6]){1|O<2>,1|S<2>,2|C<3>,2|F<1>,2|N<3>}	125.3485	0.040	2	125.3485	0.002	2	125.3485	0.002	2	121.6903	6.366	31	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:N[6]-3:F-1:F-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,4|C<3>}	120.8728	1.602	20	120.8728	2.566	20	120.8728	2.566	20	121.6903	6.366	31	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:N[6]-3:F-1:F-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2	N[6](N[6]C[6a]B[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	N[6](N[6]C[6a]B[6])(C[6]N[6]C){1|N<3>,2|C<3>,2|F<1>}	124.6697	0.258	4	123.3540	4.589	6	123.3540	4.589	6	121.6903	6.366	31	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:N[6]-3:F-1:F-1:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(F)2	N[6](N[6]C[6a]B[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|O<2>,3|C<3>}	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	N[6](N[6]C[6a]B[6])(C[6]N[6]C){1|N<3>,2|C<3>,2|F<1>}	120.7225	1.404	2	123.3540	4.589	6	123.3540	4.589	6	121.6903	6.366	31	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|N<3>,2|H<1>,4|C<3>}	118.1530	0.081	2	118.1530	0.006	2	118.1530	0.006	2	121.6903	6.366	31	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	3:4:2:	3:3:2:2:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:N[6]-3:O-2:O-2:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(OC)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]N[6])2(OC)2{5|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|N<3>,2|O<2>,4|C<3>}	124.6595	0.550	6	124.6595	0.302	6	124.6595	0.302	6	124.6595	0.302	6	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:2:3:	3:3:1:1:	3:3:	B[6]-4:N[6]-2:C-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[6]-3:N[6]-3:	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[6](C[6]C[5a,6]H)(N[6]B[6]C)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]H)(N[6]B[6]C){1|C<3>,1|N<3>,2|F<1>}	127.3060	0.000	1	127.2630	0.004	2	127.2630	0.004	2	127.2630	0.004	2	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:2:3:	3:3:1:1:	3:3:	B[6]-4:N[6]-2:C-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[6]-3:N[6]-3:	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	N[6](C[6]C[5a,6]H)(N[6]B[6]C)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]H)(N[6]B[6]C){1|C<3>,1|N<3>,2|F<1>}	127.2200	0.000	1	127.2630	0.004	2	127.2630	0.004	2	127.2630	0.004	2	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:3:2:	3:3:1:1:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|C<4>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	126.9120	0.000	1	124.1064	4.960	5	124.2772	4.143	6	124.2772	4.143	6	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:3:2:	3:3:1:1:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	124.9590	0.000	1	124.1064	4.960	5	124.2772	4.143	6	124.2772	4.143	6	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:3:2:	3:3:1:1:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	125.0110	0.000	1	124.1064	4.960	5	124.2772	4.143	6	124.2772	4.143	6	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:3:2:	3:3:1:1:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	121.8250	0.112	2	124.1064	4.960	5	124.2772	4.143	6	124.2772	4.143	6	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:3:2:	3:3:1:1:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2{6|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	125.1310	0.000	1	125.1310	0.000	1	124.2772	4.143	6	124.2772	4.143	6	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:3:2:	3:3:3:3:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](N[6]C[6a]B[6])(C[6]C[6]C)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,8|C<3>}	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,4|H<1>,7|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>}	122.1755	1.172	2	122.1755	1.373	2	122.1755	1.373	2	121.0490	4.493	3	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:3:2:	3:3:3:3:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,8|C<3>}	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2{1|C<4>,4|H<1>,9|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|C<4>,1|N<3>,6|C<3>}	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	121.0490	4.493	3	122.6652	7.445	50	122.6652	7.445	50
856	874	914	6:SP2_SP2_SP3	N[6]	B[6]	N[6]	4:3:2:	3:3:3:4:	3:2:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-2:	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6])	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	N[6](N[6]C[6a]B[6])(N[6]P[6])	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6]){1|H<1>,1|P<4>,3|C<4>,6|C<3>}	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH){1|N<2>,4|F<1>,8|C<3>}	N[6](N[6]C[6a]B[6])(N[6]P[6]){1|C<4>,6|C<3>}	127.4860	0.000	1	127.4860	0.000	1	127.4860	0.000	1	127.4860	0.000	1	122.6652	7.445	50	122.6652	7.445	50
856	874	930	0:SP2_SP2_SP3	N[6]	B[6]	C	4:2:3:	3:3:1:1:	3:3:1:	B[6]-4:N[6]-2:C-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a]-3:N[6]-3:H-1:	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	C(C[5a]C[5a]N[5a])(N[6]B[6]N[6])(H)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(N[6]B[6]N[6])(H)	117.4490	0.000	1	117.8875	0.385	2	117.8875	0.385	2	117.8875	0.385	2	117.8875	0.385	2	117.8875	0.385	2
856	874	930	0:SP2_SP2_SP3	N[6]	B[6]	C	4:2:3:	3:3:1:1:	3:3:1:	B[6]-4:N[6]-2:C-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	C[5a]-3:N[6]-3:H-1:	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2	C(C[5a]C[5a]N[5a])(N[6]B[6]N[6])(H)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	B[6](N[5a,6]C[5a,6]C[5a])(N[6]N[6]C)(F)2{1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(N[6]B[6]N[6])(H)	118.3260	0.000	1	117.8875	0.385	2	117.8875	0.385	2	117.8875	0.385	2	117.8875	0.385	2	117.8875	0.385	2
856	874	941	0:SP2_SP2_SP3	N[6]	B[6]	N	3:4:2:	2:3:1:1:	3:3:	C[6]-3:B[6]-4:N-2:	O[6]-2:N[6]-3:F-1:F-1:	N[6]-3:C-3:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2	N(N[6]B[6]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	B[6](O[6]C[6,6a])(N[6]C[6]N)(F)2{1|H<1>,2|C<3>}	N(N[6]B[6]C[6])(CC[6a]H)	125.5370	1.097	2	125.5370	1.204	2	125.5370	1.204	2	125.5370	1.204	2	125.5370	1.204	2	125.5370	1.204	2
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6,6]	H	4:3:1:	3:3:3:3:	3:	B[6,6]-4:C[6]-3:H-1:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	H(N[6]B[6,6]C[6])	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|C<4>,2|H<1>,2|N<2>,4|C<3>}	H(N[6]B[6,6]C[6])	120.3310	1.745	2	120.3310	3.046	2	120.1142	2.879	4	120.1142	2.879	4	120.1142	2.879	4	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6,6]	H	4:3:1:	3:3:3:3:	3:	B[6,6]-4:C[6]-3:H-1:	N[3x6]-3:C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H)	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2	H(N[6]B[6,6]C[6])	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(N[6]C[6]H)2{2|H<1>,2|N<2>,6|C<3>}	H(N[6]B[6,6]C[6])	119.8975	2.324	2	119.8975	5.402	2	120.1142	2.879	4	120.1142	2.879	4	120.1142	2.879	4	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	3:4:1:	3:3:1:1:	3:	C[6,6]-3:B[6]-4:H-1:	N[6]-3:N[6]-3:F-1:F-1:	N[6]-3:	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2	H(N[6]C[6,6]B[6])	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H){1|B<4>,1|N<2>,2|C<3>}	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2{1|O<2>,3|C<3>}	H(N[6]C[6,6]B[6])	116.7160	0.351	2	116.7160	0.123	2	116.7160	0.123	2	119.2334	6.121	8	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	3:4:1:	3:3:1:1:	3:	C[6]-3:B[6]-4:H-1:	N[6]-3:N[6]-3:F-1:F-1:	N[6]-3:	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2	H(N[6]B[6]C[6])	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	H(N[6]B[6]C[6])	118.8425	0.248	2	118.7887	1.761	4	120.0725	5.165	6	119.2334	6.121	8	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	3:4:1:	3:3:1:1:	3:	C[6]-3:B[6]-4:H-1:	N[6]-3:N[6]-3:F-1:F-1:	N[6]-3:	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2	H(N[6]B[6]C[6])	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	B[6](N[6]C[6]H)2(F)2{1|N<3>,2|C<3>}	H(N[6]B[6]C[6])	118.7350	2.283	2	118.7887	1.761	4	120.0725	5.165	6	119.2334	6.121	8	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	3:4:1:	3:3:1:1:	3:	C[6]-3:B[6]-4:H-1:	N[6]-3:N[6]-3:F-1:F-1:	N[6]-3:	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H)	B[6](N[6]C[6]H)2(F)2	H(N[6]B[6]C[6])	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H){1|H<1>,1|N<2>,2|C<3>}	B[6](N[6]C[6]H)2(F)2{1|N<2>,2|C<3>}	H(N[6]B[6]C[6])	122.6400	0.874	2	122.6400	0.764	2	120.0725	5.165	6	119.2334	6.121	8	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	3:4:1:	3:3:3:3:	3:	C[6,6a]-3:B[6]-4:H-1:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	H(N[6]C[6,6a]B[6])	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	H(N[6]C[6,6a]B[6])	116.3357	2.034	3	116.3357	4.138	3	116.3357	4.138	3	116.3357	4.138	3	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	3:4:1:	3:3:4:4:	3:	C[6]-3:B[6]-4:H-1:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6]-3:	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	H(N[6]B[6]C[6])	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H){1|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	H(N[6]B[6]C[6])	119.4170	0.000	1	119.4170	0.000	1	119.4170	0.000	1	119.4170	0.000	1	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	4:3:1:	3:3:3:3:	3:	B[6]-4:C[6,6a]-3:H-1:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H)	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	H(N[6]C[6,6a]B[6])	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H){2|N<3>,7|C<3>}	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	H(N[6]C[6,6a]B[6])	118.9270	1.335	2	118.9270	1.782	2	118.9270	1.782	2	119.1091	2.689	9	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	4:3:1:	3:3:3:3:	3:	B[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	H(N[6]B[6]C[6])	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H){1|H<1>,6|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,5|H<1>,7|C<3>}	H(N[6]B[6]C[6])	119.9930	0.000	1	119.9930	0.000	1	119.5547	0.178	3	119.1091	2.689	9	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	4:3:1:	3:3:3:3:	3:	B[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H)	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	H(N[6]B[6]C[6])	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H){1|H<1>,8|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){5|H<1>,8|C<3>}	H(N[6]B[6]C[6])	119.3355	0.260	2	119.3355	0.067	2	119.5547	0.178	3	119.1091	2.689	9	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	4:3:1:	3:3:3:3:	3:	B[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H)	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H)	H(N[6]B[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H){1|N<2>,6|C<3>}	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,4|H<1>,7|C<3>}	H(N[6]B[6]C[6])	119.2785	1.102	2	119.2785	1.215	2	118.8660	6.160	4	119.1091	2.689	9	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	4:3:1:	3:3:3:3:	3:	B[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H)	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H)	H(N[6]B[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H){1|P<3>,1|P<4>,5|C<3>}	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<3>,4|F<1>,9|C<3>}	H(N[6]B[6]C[6])	115.5740	0.000	1	115.5740	0.000	1	118.8660	6.160	4	119.1091	2.689	9	118.7749	4.679	21	118.9892	4.510	25
856	874	951	0:SP2_SP-NON_SP3	N[6]	B[6]	H	4:3:1:	3:3:3:3:	3:	B[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	H(N[6]B[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H){8|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<2>,4|H<1>,8|C<3>}	H(N[6]B[6]C[6])	121.3330	0.000	1	121.3330	0.000	1	118.8660	6.160	4	119.1091	2.689	9	118.7749	4.679	21	118.9892	4.510	25
856	880	922	0:SP2_SP3_SP3	N[6]	Si	S[6]	3:3:4:	3:4:4:4:	3:3:3:	S[6]-3:Ge[6]-3:Si-4:	N[6]-3:C-4:C-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3)	Si(N[6]Ge[6]S[6])(CH3)3	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3){1|Ge<3>,1|Si<4>,1|S<3>,2|C<3>}	Si(N[6]Ge[6]S[6])(CH3)3	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2{2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	116.4680	2.606	2	116.4680	6.793	2	116.4680	6.793	2	116.4680	6.793	2	116.4680	6.793	2	116.4680	6.793	2
856	880	955	0:SP2_SP3_SP3	N[6]	Si	P[5,6]	4:4:4:	3:4:4:4:	4:4:4:3:	P[5,6]-4:C[6]-4:Si-4:	N[6]-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	N[6](P[5,6]C[5]2C[6])(C[6]C[6]HH)(SiC3)	Si(N[6]P[5,6]C[6])(CH3)3	P[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]Si)	N[6](P[5,6]C[5]2C[6])(C[6]C[6]HH)(SiC3){1|C<4>,3|C<3>,6|H<1>}	Si(N[6]P[5,6]C[6])(CH3)3	P[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]Si){1|C<3>,2|H<1>,3|C<4>}	128.0613	0.451	3	128.0613	0.204	3	128.0613	0.204	3	128.0613	0.204	3	128.0613	0.204	3	128.0613	0.204	3
856	893	961	0:SP3_SP2_SP3	N[6]	O	S[6]	4:4:2:	3:3:	3:3:1:1:	S[6]-4:S[6]-4:O-2:	N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)2(OC)	O(N[6]S[6]2)(CCN)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	N[6](S[6]C[6,6a]OO)2(OC){3|C<3>}	O(N[6]S[6]2)(CCN)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	105.8895	1.042	2	105.8895	1.085	2	105.8895	1.085	2	105.8895	1.085	2	105.8895	1.085	2	105.8895	1.085	2
856	893	961	0:SP3_SP3_SP3	N[6]	O	S[6]	4:4:2:	3:1:	3:3:1:1:	S[6]-4:S[6]-4:O-2:	N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)2(OH)	O(N[6]S[6]2)(H)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	N[6](S[6]C[6,6a]OO)2(OH){3|C<3>}	O(N[6]S[6]2)(H)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	107.2765	0.781	4	107.2765	0.610	4	107.2765	0.610	4	107.2765	0.610	4	107.2765	0.610	4	107.2765	0.610	4
856	914	914	6:SP2_SP2_SP2	N[6]	N[6]	N[6]	2:2:3:	3:3:	3:3:	N[6]-2:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[6]-3:N[6]-3:	N[6](N[6]C[6])2(COO)	N[6](C[6]C[6a]N[6])(N[6]N[6]C)	N[6](C[6]C[6a]N[6])(N[6]N[6]C)	N[6](N[6]C[6])2(COO){1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]N[6]C){1|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]N[6]C){1|H<1>,3|C<3>}	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	2:2:3:	3:3:	3:2:1:	N[6]-2:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](N[6]C[6])2(COO)	N[6](C[6]C[6a]N[6])(N[6]N[6]C)	C(N[6]N[6]2)(OC)(O)	N[6](N[6]C[6])2(COO){1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]N[6]C){1|H<1>,3|C<3>}	C(N[6]N[6]2)(OC)(O)	116.8210	3.106	2	116.8210	9.645	2	116.8210	9.645	2	116.8210	9.645	2	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	2:3:3:	3:3:	3:2:1:	N[6]-2:C[6]-3:C-3:	C[6,6]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](N[6]C[6,6])(C[6]C[6]O)(COO)	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]C)	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6,6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[6]C[6]N[6])(OC)(O)	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6]N[6])(OC)(O)	115.2955	0.595	2	115.2955	0.354	2	115.2955	0.354	2	115.2955	0.354	2	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	116.4563	5.037	18	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:N-3:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|N<2>,4|C<3>}	C(N[6]C[6]N[6])(NCH)(O)	116.4610	0.000	1	116.4610	0.000	1	116.5859	2.604	15	116.4563	5.037	18	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:N-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<3>,1|N<2>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<4>,1|N<2>,2|C<3>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	119.8880	0.000	2	119.8880	0.000	2	116.5859	2.604	15	116.4563	5.037	18	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:N-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N[6](C[6]N[6]C)(N[6]C[6]C)	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(NCH)(O)	115.2870	0.466	6	115.2870	0.218	6	116.5859	2.604	15	116.4563	5.037	18	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:N-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N[6](C[6]N[6]C)(N[6]C[6]C)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	116.8050	0.792	6	116.8050	0.627	6	116.5859	2.604	15	116.4563	5.037	18	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]C)(N[6]C[6])(CN[6]O)	N[6](C[6]N[6]C)(N[6]C[6]C)	C(N[6]C[6]N[6])(N[6]C[6]2)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CN[6]O){1|C<4>,1|N<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(N[6]C[6]2)(O)	113.6485	4.434	2	113.6485	19.663	2	113.6485	19.663	2	116.4563	5.037	18	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:4:1:	N[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](N[6]N[6]C)(N[6]C[6])(CCO)	N[6](C[6]C[6a]C[6])(N[6]N[6]C)	C(N[6]N[6]2)(CH3)(O)	N[6](N[6]N[6]C)(N[6]C[6])(CCO){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]N[6]C){1|N<3>,2|H<1>,3|C<3>}	C(N[6]N[6]2)(CH3)(O)	121.4690	0.000	1	121.4690	0.000	1	121.4690	0.000	1	121.4690	0.000	1	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	B[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[5a]-3:N[6]-3:H-1:	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	N[6](C[6]C[5a,6]H)(N[6]B[6]C)	C(C[5a]C[5a]N[5a])(N[6]B[6]N[6])(H)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]H)(N[6]B[6]C){1|C<3>,1|N<3>,2|F<1>}	C(C[5a]C[5a]N[5a])(N[6]B[6]N[6])(H)	114.8355	0.542	2	114.8355	0.294	2	114.8355	0.294	2	116.5074	3.680	10	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	C[3,6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[3,6]C[3,6]C[3]O)(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]C[6])(N[6]C[3,6]C)	C(N[6]C[3,6]N[6])(C[6a]C[6a]2)(O)	N[6](C[3,6]C[3,6]C[3]O)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[3,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[3,6]N[6])(C[6a]C[6a]2)(O)	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	116.5074	3.680	10	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	C[5,6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]C[6])(N[6]C[5,6]C)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	115.9060	0.000	1	115.9060	0.000	1	115.9060	0.000	1	116.5074	3.680	10	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	117.9190	0.000	1	117.9190	0.000	1	116.6774	2.670	5	116.5074	3.680	10	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	114.9015	0.359	2	114.9015	0.129	2	116.6774	2.670	5	116.5074	3.680	10	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	117.7060	0.000	1	117.8325	0.032	2	116.6774	2.670	5	116.5074	3.680	10	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|O<2>,3|C<3>,3|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(O)	117.9590	0.000	1	117.8325	0.032	2	116.6774	2.670	5	116.5074	3.680	10	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:N-3:O-1:	N[6](C[6]C[6]CN)(N[6]C[6])(CNO)	N[6](C[6]C[6]C)(N[6]C[6]C)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]C[6]CN)(N[6]C[6])(CNO){2|C<4>,2|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	115.6820	0.000	1	115.6820	0.000	1	115.6820	0.000	1	116.5074	3.680	10	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:2:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-3:C-2:	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	C(N[6]C[6]N[6])(CCH)(CN)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|H<1>,1|N<3>,2|C<3>}	C(N[6]C[6]N[6])(CCH)(CN)	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[5,6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO)	N[6](C[5,6]C[5,5,6]N[5])(N[6]C[6]C)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[5,6]C[5,5,6]N[5])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C(N[6]C[6]N[6])(CH3)(O)	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	117.9894	1.741	7	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO){1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(CH3)(O)	117.8740	0.000	1	117.8740	0.000	1	118.3458	1.023	6	117.9894	1.741	7	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]2H)(N[6]C[6])(CCO)	N[6](C[6]N[6]S)(N[6]C[6]C)	C(N[6]C[6]N[6])(CCHH)(O)	N[6](C[6]C[6]2H)(N[6]C[6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6](C[6]N[6]S)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]N[6])(CCHH)(O)	118.4970	0.000	1	118.4970	0.000	1	118.3458	1.023	6	117.9894	1.741	7	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6]N[6])(CH3)(O)	116.8370	0.000	1	116.8370	0.000	1	118.3458	1.023	6	117.9894	1.741	7	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO)	N[6](C[6]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO){2|C<4>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C(N[6]C[6]N[6])(CH3)(O)	117.9640	0.000	1	117.9640	0.000	1	118.3458	1.023	6	117.9894	1.741	7	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]N[6]CH)(N[6]C[6])(CCO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(CCHH)(O)	N[6](C[6]N[6]CH)(N[6]C[6])(CCO){1|C<3>,1|N<2>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6]C[6]N[6])(CCHH)(O)	119.4710	0.000	1	119.4710	0.000	1	118.3458	1.023	6	117.9894	1.741	7	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:4:1:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]N[6]CH)(N[6]C[6])(CCO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(CH3)(O)	N[6](C[6]N[6]CH)(N[6]C[6])(CCO){1|C<3>,1|N<2>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6]C[6]N[6])(CH3)(O)	119.4320	0.000	1	119.4320	0.000	1	118.3458	1.023	6	117.9894	1.741	7	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP2_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:4:4:	C[6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C-4:C-4:	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC)	N[6](C[6]C[6a]O[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(CCHH)2	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC){1|C<3>,1|O<2>,2|C<4>}	N[6](C[6]C[6a]O[6])(N[6]C[6]C){1|Si<4>,2|C<3>,2|H<1>}	C(N[6]C[6]N[6])(CCHH)2	118.3030	0.000	1	118.3030	0.000	1	118.3030	0.000	1	118.3030	0.000	1	116.7571	4.963	43	116.7571	4.963	43
856	914	930	0:SP3_SP2_SP2	N[6]	N[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:N-3:O-1:	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|N<2>,4|C<3>}	C(N[6]C[6]N[6])(NCH)(O)	117.2240	0.000	1	117.2240	0.000	1	117.2240	0.000	1	117.2240	0.000	1	117.4370	0.091	2	117.4370	0.091	2
856	914	930	0:SP3_SP2_SP2	N[6]	N[6]	C	4:2:3:	3:3:	3:3:1:	C[5,6]-4:N[6]-2:C-3:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]C[6])(N[6]C[5,6]C)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(O)	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	117.4370	0.091	2	117.4370	0.091	2
856	914	941	0:SP2_SP2_SP2	N[6]	N[6]	N	3:2:2:	3:3:	3:2:	C[6]-3:N[6]-2:N-2:	C[6]-3:N[6]-3:	N[6]-3:S-2:	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS)	N[6](C[6]C[6a]N[6])(N[6]C[6]N)	N(N[6]C[6]N[6])(SC)	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS){1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]N){1|N<2>,3|C<3>}	N(N[6]C[6]N[6])(SC)	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1
856	914	945	0:SP2_SP2_SP3	N[6]	N[6]	P	4:2:3:	3:3:	3:3:3:	B[5,6]-4:N[6]-2:P-3:	N[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PC[6a]2)	N[6](N[6]B[5,6]P)(C[6]C[6]H)	P(N[6]B[5,6]N[6])(C[6a]C[6a]2)2	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	N[6](N[6]B[5,6]P)(C[6]C[6]H){4|O<2>}	P(N[6]B[5,6]N[6])(C[6a]C[6a]2)2	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	117.4005	0.439	2	117.4005	0.439	2
856	914	945	0:SP2_SP2_SP3	N[6]	N[6]	P	4:2:3:	3:3:	3:4:4:	B[5,6]-4:N[6]-2:P-3:	N[6]-3:C[6]-3:	N[6]-3:C-4:C-4:	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PCC)	N[6](N[6]B[5,6]P)(C[6]C[6]H)	P(N[6]B[5,6]N[6])(CC3)2	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PCC){1|C<3>,1|H<1>,2|C<4>}	N[6](N[6]B[5,6]P)(C[6]C[6]H){4|O<2>}	P(N[6]B[5,6]N[6])(CC3)2	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	117.4005	0.439	2	117.4005	0.439	2
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	2:3:1:	3:3:	3:	N[6]-2:C[6]-3:H-1:	C[5,6]-3:N[6]-3:	N[6]-3:	N[6](N[6]C[5,6])(C[6]C[6]O)(H)	N[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](N[6]C[5,6])(C[6]C[6]O)(H){2|H<1>,2|N<3>}	N[6](C[5,6]N[5,6]N[5])(N[6]C[6]H){1|O<1>,4|C<4>}	H(N[6]C[6]N[6])	114.4510	0.000	1	114.4510	0.000	1	114.4510	0.000	1	115.7423	1.294	3	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	2:3:1:	3:3:	3:	N[6]-2:C[6]-3:H-1:	C[6,6]-3:N[6]-3:	N[6]-3:	N[6](N[6]C[6,6])(C[6]C[6]O)(H)	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](N[6]C[6,6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(N[6]C[6]N[6])	116.3880	0.296	2	116.3880	0.087	2	116.3880	0.087	2	115.7423	1.294	3	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a,6]C)(N[6]C[6])(H)	N[6](C[6]C[5a,6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[5a,6]C)(N[6]C[6])(H){1|C<4>,2|C<3>}	N[6](C[6]C[5a,6]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>}	H(N[6]C[6]N[6])	111.3500	0.000	1	111.3500	0.000	1	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>}	H(N[6]C[6]N[6])	113.6500	0.000	1	113.8790	0.105	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	N[6](C[6]C[5a,6]N)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6]H){1|C<3>,2|N<2>}	H(N[6]C[6]N[6])	114.1080	0.000	1	113.8790	0.105	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]H){1|N<2>,2|C<3>}	H(N[6]C[6]N[6])	115.2301	1.486	13	114.8537	2.584	16	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(N[6]C[6]H){1|N<3>,2|C<3>}	H(N[6]C[6]N[6])	113.2227	1.107	3	114.8537	2.584	16	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	N[6](C[6]C[6,6a]N)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]N)(N[6]C[6]H){1|N<3>,2|C<3>}	H(N[6]C[6]N[6])	114.5903	8.539	3	114.5903	72.920	3	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6]N[6])	112.8230	0.000	1	112.8230	0.000	1	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]H)(N[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(N[6]C[6]N[6])	112.7140	0.000	1	114.9385	5.163	8	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	H(N[6]C[6]N[6])	115.5573	2.310	6	114.9385	5.163	8	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(N[6]C[6]H){1|H<1>,2|C<3>}	H(N[6]C[6]N[6])	113.4500	0.000	1	114.9385	5.163	8	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]N)(N[6]C[6])(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	109.1750	0.000	1	109.1750	0.000	1	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]Cl)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]N)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(N[6]C[6]N[6])	115.2920	0.000	1	115.2920	0.000	1	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[5a]O[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[5a]O[6])(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	H(N[6]C[6]N[6])	117.3130	0.000	1	117.3130	0.000	1	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6]N[6])	114.4045	2.765	2	114.4045	7.648	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6]N[6])	112.0070	0.000	1	115.2397	7.945	3	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(N[6]C[6]N[6])	116.8560	0.462	2	115.2397	7.945	3	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>}	H(N[6]C[6]N[6])	116.5645	0.056	4	116.5645	0.003	4	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]N[6]H)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[6]N[6])	113.8890	0.000	1	113.8890	0.000	1	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<3>,1|H<1>,1|S<2>}	H(N[6]C[6]N[6])	116.2755	0.026	2	111.2672	35.359	6	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]S)(N[6]C[6])(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<3>,1|H<1>,1|S<2>}	H(N[6]C[6]N[6])	108.7630	5.818	4	111.2672	35.359	6	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]C[6])(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]C[6])(N[6]C[6])(H){1|C<2>,1|C<4>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[6]N[6])	112.4420	0.000	1	112.4420	0.000	1	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[6]N[6])	114.1670	0.000	1	112.4870	5.645	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,2|C<4>,3|C<3>}	H(N[6]C[6]N[6])	110.8070	0.000	1	112.4870	5.645	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	H(N[6]C[6]N[6])	109.7645	2.108	4	113.6200	38.350	6	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|N<2>,4|C<3>}	H(N[6]C[6]N[6])	121.3310	0.201	2	113.6200	38.350	6	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[5a]N[6])(N[6]C[6])(H)	N[6](C[6]N[5a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|N<3>}	N[6](C[6]N[5a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	H(N[6]C[6]N[6])	122.8185	0.057	2	122.8185	0.003	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]Cl)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]Cl)(N[6]C[6])(H){1|C<3>,1|C<4>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	H(N[6]C[6]N[6])	117.0260	0.000	1	117.0260	0.000	1	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>}	H(N[6]C[6]N[6])	115.3910	0.199	2	115.3910	0.040	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]N)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]N)(N[6]C[6])(H){2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,2|C<3>,2|N<3>}	H(N[6]C[6]N[6])	115.4662	3.227	21	115.4662	10.412	21	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(N[6]C[6]N[6])	117.8400	0.000	1	116.8170	0.785	3	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]O)(N[6]C[6])(H){1|N<2>,2|C<4>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>}	H(N[6]C[6]N[6])	116.3055	0.006	2	116.8170	0.785	3	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6]N[6])	115.9910	0.219	2	115.9910	0.048	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<3>,1|O<2>,1|S<1>,3|C<3>}	H(N[6]C[6]N[6])	114.5710	0.000	1	114.3805	2.777	4	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]S)(N[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	H(N[6]C[6]N[6])	116.6190	0.000	1	114.3805	2.777	4	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]S)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]S)(N[6]C[6])(H){1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	H(N[6]C[6]N[6])	113.1660	0.577	2	114.3805	2.777	4	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	N[6](C[6]C[5a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N[6](C[6]C[5a]C[6])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	H(N[6]C[6]N[6])	111.3360	0.342	3	111.3360	0.117	3	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(N[6]C[6]N[6])	116.3770	0.127	2	116.3770	0.016	2	114.7577	12.315	99	114.7577	12.315	99	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	N[6](C[5,6]N[5,6]S[5])(N[6]C[5,6]H)	H(N[6]C[5,6]N[6])	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	N[6](C[5,6]N[5,6]S[5])(N[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(N[6]C[5,6]N[6])	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	112.2439	48.824	10	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[5,6]-4:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[5,6]H)	H(N[6]C[5,6]N[6])	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6](C[6]C[6a]C[6])(N[6]C[5,6]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(N[6]C[5,6]N[6])	121.2465	0.756	2	121.2465	0.571	2	121.2465	0.571	2	112.2439	48.824	10	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[5,6]-4:N[6]-2:H-1:	N[6]-3:C[6]-3:	N[6]-3:	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H)	N[6](N[6]C[5,6]H)(C[6]C[6]O)	H(N[6]C[5,6]N[6])	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	N[6](N[6]C[5,6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(N[6]C[5,6]N[6])	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	112.2439	48.824	10	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[6]-4:N[6]-2:H-1:	C[6,6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[5]C[6]H)(N[6]C[6,6])(H)	N[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[5]C[6]H)(N[6]C[6,6])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[6](C[6,6]N[6,6]C[6])(N[6]C[6]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(N[6]C[6]N[6])	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	112.2439	48.824	10	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[6]-4:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6]CH)(N[6]C[6])(H)	N[6](C[6]C[6a]O[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6]CH)(N[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(N[6]C[6]N[6])	106.1750	0.000	1	106.1750	0.000	1	111.8222	47.740	5	112.2439	48.824	10	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[6]-4:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]CC)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]CC)(N[6]C[6])(H){1|O<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6]N[6])	111.0367	6.825	3	111.0367	46.578	3	111.8222	47.740	5	112.2439	48.824	10	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP2_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[6]-4:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]CH)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]CH)(N[6]C[6])(H){1|C<3>,1|N<2>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(N[6]C[6]N[6])	119.8260	0.000	1	119.8260	0.000	1	111.8222	47.740	5	112.2439	48.824	10	114.5597	15.411	112	114.5597	15.411	112
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|N<2>,2|C<4>,3|C<3>}	H(N[6]C[6]N[6])	109.1300	0.000	1	109.1300	0.000	1	109.8969	1.741	10	109.8969	1.741	10	109.6441	6.339	13	109.6441	6.339	13
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<3>,1|N<3>,2|N<2>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,3|N<2>}	H(N[6]C[6]N[6])	110.2250	0.000	1	109.8031	1.816	8	109.8969	1.741	10	109.8969	1.741	10	109.6441	6.339	13	109.6441	6.339	13
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	H(N[6]C[6]N[6])	109.7875	1.023	4	109.8031	1.816	8	109.8969	1.741	10	109.8969	1.741	10	109.6441	6.339	13	109.6441	6.339	13
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[6]N[6])	108.4835	0.844	2	109.8031	1.816	8	109.8969	1.741	10	109.8969	1.741	10	109.6441	6.339	13	109.6441	6.339	13
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|N<2>,4|C<3>}	H(N[6]C[6]N[6])	112.0830	0.000	1	109.8031	1.816	8	109.8969	1.741	10	109.8969	1.741	10	109.6441	6.339	13	109.6441	6.339	13
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	3:2:1:	3:3:	3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]S[6]N)(N[6]C[6])(H)	N[6](C[6]C[5a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N[6](C[6]C[5a]C[6])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	H(N[6]C[6]N[6])	111.4140	0.000	1	111.4140	0.000	1	109.8969	1.741	10	109.8969	1.741	10	109.6441	6.339	13	109.6441	6.339	13
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	N[6](C[5,6]N[5,6]S[5])(N[6]C[5,6]H)	H(N[6]C[5,6]N[6])	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	N[6](C[5,6]N[5,6]S[5])(N[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(N[6]C[5,6]N[6])	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	108.8013	28.812	3	109.6441	6.339	13	109.6441	6.339	13
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[6]-4:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]N[6]CC)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]N[6]CC)(N[6]C[6])(H){1|O<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6]N[6])	112.5850	0.000	1	112.5850	0.000	1	107.6215	49.273	2	108.8013	28.812	3	109.6441	6.339	13	109.6441	6.339	13
856	914	951	0:SP3_SP-NON_SP2	N[6]	N[6]	H	4:2:1:	3:3:	3:	C[6]-4:N[6]-2:H-1:	C[6]-3:N[6]-3:	N[6]-3:	N[6](C[6]Si[6,6]CC)(N[6]C[6])(H)	N[6](C[6]C[6]C)(N[6]C[6]H)	H(N[6]C[6]N[6])	N[6](C[6]Si[6,6]CC)(N[6]C[6])(H){2|C<4>,2|N<3>}	N[6](C[6]C[6]C)(N[6]C[6]H){1|Si<4>,2|C<4>,2|H<1>}	H(N[6]C[6]N[6])	102.6580	0.000	1	102.6580	0.000	1	107.6215	49.273	2	108.8013	28.812	3	109.6441	6.339	13	109.6441	6.339	13
856	914	952	0:SP2_SP2_SP3	N[6]	N[6]	S	3:4:2:	3:3:	3:3:1:1:	C[6]-3:S-4:N[6]-2:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6a]N[6])(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]S)	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6a]N[6])(SC[6a]OO)(N[6]C[6]){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]S){1|N<2>,1|S<4>,3|C<3>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	110.4543	3.494	3	110.4543	12.207	3	110.4543	12.207	3	110.4543	12.207	3	110.5695	8.191	4	110.5695	8.191	4
856	914	952	0:SP2_SP2_SP3	N[6]	N[6]	S	4:4:2:	3:3:	3:3:1:1:	C[6]-4:S-4:N[6]-2:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6]CH)(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6a]C[6])(N[6]C[6]S)	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6]CH)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.5695	8.191	4	110.5695	8.191	4
856	914	952	0:SP3_SP2_SP3	N[6]	N[6]	S	3:4:2:	3:3:	3:3:1:1:	C[6]-3:S-4:N[6]-2:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6a]C[6])(N[6]C[6]S)	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6]){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]S){3|C<3>,3|H<1>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	110.6372	0.241	5	110.6372	0.241	5
856	914	952	0:SP3_SP2_SP3	N[6]	N[6]	S	4:4:2:	3:3:	3:3:1:1:	C[6]-4:S-4:N[6]-2:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a])(N[6]C[6]S)	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6]){3|C<3>}	N[6](C[6]C[6,6a]C[6a])(N[6]C[6]S){1|C<4>,1|H<1>,4|C<3>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	111.3470	0.000	1	111.3470	0.000	1	110.6158	0.318	4	110.6158	0.318	4	110.6372	0.241	5	110.6372	0.241	5
856	914	952	0:SP3_SP2_SP3	N[6]	N[6]	S	4:4:2:	3:3:	3:3:1:1:	C[6]-4:S-4:N[6]-2:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6]C)(N[6]C[6]S)	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6]){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(N[6]C[6]S){1|C<3>,3|H<1>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	110.0070	0.000	1	110.0070	0.000	1	110.6158	0.318	4	110.6158	0.318	4	110.6372	0.241	5	110.6372	0.241	5
856	914	952	0:SP3_SP2_SP3	N[6]	N[6]	S	4:4:2:	3:3:	3:3:1:1:	C[6]-4:S-4:N[6]-2:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6a]C[6])(N[6]C[6]S)	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6]){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6]S){3|C<3>,3|H<1>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	110.4090	0.000	1	110.4090	0.000	1	110.6158	0.318	4	110.6158	0.318	4	110.6372	0.241	5	110.6372	0.241	5
856	914	952	0:SP3_SP2_SP3	N[6]	N[6]	S	4:4:2:	3:3:	3:3:1:1:	C[6]-4:S-4:N[6]-2:	C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6]HO)(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6]C)(N[6]C[6]S)	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6]HO)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]S){1|C<4>,1|O<2>,3|H<1>}	S(N[6]C[6]N[6])(C[6a]C[6a]2)(O)2	110.7000	0.000	1	110.7000	0.000	1	110.6158	0.318	4	110.6158	0.318	4	110.6372	0.241	5	110.6372	0.241	5
856	922	930	0:SP2_SP2_SP3	N[6]	S[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:S[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO)	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C(N[6]C[6]S[6])(OC)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO){1|C<3>,3|H<1>}	S[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]S[6])(OC)(O)	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1
856	922	951	0:SP3_SP-NON_SP3	N[6]	S[6]	H	3:3:1:	3:4:1:	3:	C[6,6a]-3:S[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)	S[6](N[6]C[6,6a]H)(C[6]C[6]CH)(O)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	S[6](N[6]C[6,6a]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6a]S[6])	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1
856	922	952	0:SP3_SP3_SP3	N[6]	S[6]	S	3:4:4:	3:3:2:	3:3:1:1:	S[6]-3:C[6]-4:S-4:	C[6,6a]-3:N[6]-3:N-2:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS)	S(N[6]C[6]S[6])(C[6a]C[6a]2)(O)2	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO){2|Cl<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S(N[6]C[6]S[6])(C[6a]C[6a]2)(O)2	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	114.9650	15.176	3	114.9650	15.176	3
856	922	952	0:SP3_SP3_SP3	N[6]	S[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:S[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	S[6](C[6]C[6]CH)(N[6]C[6]S)(O)	S(N[6]C[6]S[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	S[6](C[6]C[6]CH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	S(N[6]C[6]S[6])(C[6a]C[6a]2)(O)2	113.6540	0.000	1	113.6540	0.000	1	116.5005	16.205	2	116.5005	16.205	2	114.9650	15.176	3	114.9650	15.176	3
856	922	952	0:SP3_SP3_SP3	N[6]	S[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:S[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	S[6](C[6]C[6]HH)(N[6]C[6]S)(O)	S(N[6]C[6]S[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	S[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	S(N[6]C[6]S[6])(C[6a]C[6a]2)(O)2	119.3470	0.000	1	119.3470	0.000	1	116.5005	16.205	2	116.5005	16.205	2	114.9650	15.176	3	114.9650	15.176	3
856	930	943	0:SP2_SP-NON_SP2	N[6,6]	C	Ga[5x6]	4:4:3:	3:3:3:	4:4:3:1:	Ga[5x6]-4:Ga[6,6]-4:C-3:	N[6,6]-3:N-3:N-3:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	C(N[6,6]Ga[5x6]Ga[6,6])(NCC)2	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	C(N[6,6]Ga[5x6]Ga[6,6])(NCC)2	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	122.1557	0.493	3	122.1557	0.243	3	122.1557	0.243	3	122.1557	0.243	3	122.1557	0.243	3	122.1033	0.515	6
856	930	943	0:SP2_SP-NON_SP2	N[6,6]	C	Ga[6,6]	4:4:3:	3:3:3:	4:3:1:1:	Ga[5x6]-4:Ga[6,6]-4:C-3:	N[6,6]-3:N-3:N-3:	N[5x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	C(N[6,6]Ga[5x6]Ga[6,6])(NCC)2	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	C(N[6,6]Ga[5x6]Ga[6,6])(NCC)2	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	122.0510	1.018	3	122.0510	1.037	3	122.0510	1.037	3	122.0510	1.037	3	122.0510	1.037	3	122.1033	0.515	6
856	930	943	0:SP3_SP-NON_SP2	N[6,6]	C	Ga[6,6]	4:4:3:	3:2:4:	3:3:3:4:	Ga[6,6]-4:Ga[6,6]-4:C-3:	N[6,6]-3:N-2:C-4:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	N[6,6](Ga[6,6]N[6]2C)2(CCN)	C(N[6,6]Ga[6,6]2)(NC[6a])(CH3)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6,6](Ga[6,6]N[6]2C)2(CCN){2|H<1>,4|C<3>}	C(N[6,6]Ga[6,6]2)(NC[6a])(CH3)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	122.6095	7.787	2	122.6095	60.643	2	122.6095	60.643	2	122.6095	60.643	2	122.6095	60.643	2	122.6095	60.643	2
856	941	943	0:SP2_SP-NON_SP2	N[6]	N	Ga[6]	4:4:2:	3:1:	3:3:4:4:	Ga[6]-4:Ga[6]-4:N-2:	N[6]-3:N-1:	N[6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]N[6]CC)2(NN)	N(N[6]Ga[6]2)(N)	Ga[6](N[6]Ga[6]N)2(CSiHH)2	N[6](Ga[6]N[6]CC)2(NN){1|Ga<4>,2|N<2>}	N(N[6]Ga[6]2)(N)	Ga[6](N[6]Ga[6]N)2(CSiHH)2{1|N<3>,4|C<4>}	115.2262	0.753	6	115.2262	0.566	6	115.2262	0.566	6	115.2262	0.566	6	115.2262	0.566	6	115.2262	0.566	6
856	943	943	6:SP2_SP-NON_SP-NON	N[3x6]	Ga[4x6]	Ga[6,6]	4:4:3:	3:3:3:3:	3:3:3:4:	Ga[4x6]-4:Ga[6,6]-4:C[6]-3:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6])	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6]){2|Ga<4>,1|H<1>,8|C<3>}	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	103.3320	0.000	1	103.3320	0.000	1	103.3320	0.000	1	103.3320	0.000	1	103.3320	0.000	1	115.8228	85.164	10
856	943	943	6:SP2_SP-NON_SP-NON	N[6,6]	Ga[4x6]	Ga[6]	4:3:4:	3:3:3:3:	3:3:4:4:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	108.7655	0.964	2	108.7655	0.929	2	108.7655	0.929	2	108.7655	0.929	2	108.7655	0.929	2	115.8228	85.164	10
856	943	943	6:SP2_SP-NON_SP-NON	N[6,6]	Ga[5x6]	Ga[6,6]	4:4:3:	4:4:3:1:	4:3:1:1:	Ga[5x6]-4:Ga[6,6]-4:C-3:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	N[5x6]-4:N[6,6]-3:H-1:H-1:	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	115.7453	0.574	3	115.7453	0.329	3	115.7453	0.329	3	115.7453	0.329	3	115.7453	0.329	3	115.8228	85.164	10
856	943	943	6:SP2_SP-NON_SP-NON	N[6,6]	Ga[6,6]	Ga[6]	4:3:4:	3:3:2:4:	3:3:4:4:	Ga[6,6]-4:C[6]-3:Ga[6]-4:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,5|C<3>}	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	115.8228	85.164	10
856	943	943	6:SP2_SP-NON_SP-NON	N[6]	Ga[6]	Ga[6]	4:4:2:	3:3:4:4:	3:3:4:4:	Ga[6]-4:Ga[6]-4:N-2:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]N[6]CC)2(NN)	Ga[6](N[6]Ga[6]N)2(CSiHH)2	Ga[6](N[6]Ga[6]N)2(CSiHH)2	N[6](Ga[6]N[6]CC)2(NN){1|Ga<4>,2|N<2>}	Ga[6](N[6]Ga[6]N)2(CSiHH)2{1|N<3>,4|C<4>}	Ga[6](N[6]Ga[6]N)2(CSiHH)2{1|N<3>,4|C<4>}	127.7520	1.054	3	127.7520	1.112	3	127.7520	1.112	3	127.7520	1.112	3	127.7520	1.112	3	115.8228	85.164	10
856	943	943	6:SP3_SP-NON_SP-NON	N[6,6]	Ga[6,6]	Ga[6,6]	4:4:3:	3:3:3:4:	3:3:3:4:	Ga[6,6]-4:Ga[6,6]-4:C-3:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	N[6,6](Ga[6,6]N[6]2C)2(CCN)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6,6](Ga[6,6]N[6]2C)2(CCN){2|H<1>,4|C<3>}	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1
856	943	951	0:SP2_SP-NON_SP-NON	N[6]	Ga[6,6]	H	4:3:1:	3:3:3:4:	3:	Ga[6,6]-4:C[6]-3:H-1:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	H(N[6]Ga[6,6]C[6])	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H){1|Ga<4>,6|C<3>}	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	H(N[6]Ga[6,6]C[6])	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.4600	1.771	3	114.4600	1.771	3	114.4600	1.771	3
856	943	951	0:SP2_SP-NON_SP-NON	N[6]	Ga[6,6]	H	4:3:1:	3:3:3:4:	3:	Ga[6,6]-4:C[6]-3:H-1:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	H(N[6]Ga[6,6]C[6])	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H){1|Ga<4>,4|C<3>}	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	H(N[6]Ga[6,6]C[6])	114.3780	1.871	2	114.3780	3.501	2	114.3780	3.501	2	114.4600	1.771	3	114.4600	1.771	3	114.4600	1.771	3
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	3:4:1:	3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	N[6]-3:	C[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	H(N[6]C[6,6a]S[6])	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]S[6])	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,1|N<2>,3|C<3>}	118.6870	0.000	1	119.0215	0.224	2	119.0215	0.224	2	117.6440	20.071	7	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	3:4:1:	3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	N[6]-3:	C[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	H(N[6]C[6,6a]S[6])	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]S[6])	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,4|C<3>}	119.3560	0.000	1	119.0215	0.224	2	119.0215	0.224	2	117.6440	20.071	7	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	3:4:1:	3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|C<4>,2|C<3>}	112.9700	0.000	1	117.7000	19.888	3	117.7000	19.888	3	117.6440	20.071	7	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	3:4:1:	3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	120.0650	2.493	2	117.7000	19.888	3	117.7000	19.888	3	117.6440	20.071	7	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	3:4:1:	3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|C<4>,1|H<1>,3|C<3>}	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2{1|O<1>,2|C<3>}	110.1680	0.000	1	110.1680	0.000	1	116.1825	72.348	2	117.6440	20.071	7	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	3:4:1:	3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	122.1970	0.000	1	122.1970	0.000	1	116.1825	72.348	2	117.6440	20.071	7	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	4:3:1:	3:	3:2:1:1:	S[6]-4:C[6]-3:H-1:	N[6]-3:	N[6]-3:N[6]-2:O-1:O-1:	N[6](S[6]N[6]OO)(C[6]C[6]C)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]C)(H){2|C<3>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	117.3535	5.338	4	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	4:3:1:	3:	3:2:1:1:	S[6]-4:C[6]-3:H-1:	N[6]-3:	N[6]-3:O[6]-2:O-1:O-1:	N[6](S[6]O[6]OO)(C[6]C[6]O)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2	N[6](S[6]O[6]OO)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	117.4273	2.824	3	117.4273	7.974	3	117.4273	7.974	3	117.3535	5.338	4	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	4:3:1:	3:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	118.4390	3.013	5	118.4390	9.079	5	118.4390	9.079	5	118.1457	7.779	6	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	4:3:1:	3:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	N[6]-3:	N[6,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]N[6,6]OO)(C[6]N[6,6]O)(H)	H(N[6]C[6]S[6])	S[6](N[6,6]C[3x6]C[6])(N[6]C[6]H)(O)2	N[6](S[6]N[6,6]OO)(C[6]N[6,6]O)(H){3|C<4>}	H(N[6]C[6]S[6])	S[6](N[6,6]C[3x6]C[6])(N[6]C[6]H)(O)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	118.1457	7.779	6	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<4>,1|H<1>,2|C<3>}	121.2475	0.470	2	121.2475	0.221	2	121.4303	0.211	3	121.4303	0.211	3	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{4|C<3>}	121.7960	0.000	1	121.7960	0.000	1	121.4303	0.211	3	121.4303	0.211	3	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP2_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:2:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:O[6]-2:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,1|C<4>,3|H<1>}	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	118.5294	11.658	21	118.5294	11.658	21
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	3:4:1:	3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]S[6])	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	120.9980	0.000	1	120.9980	0.000	1	120.9980	0.000	1	120.9980	0.000	1	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:3:1:	3:	3:3:1:1:	S[6]-4:C[6]-3:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	113.7226	2.291	7	113.7226	5.248	7	113.7226	5.248	7	113.7226	5.248	7	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<2>,1|H<1>,2|C<3>}	108.8640	0.000	1	110.7650	20.990	7	110.9280	25.746	12	110.9280	25.746	12	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<4>,1|H<1>,2|C<3>}	115.2670	7.418	2	110.7650	20.990	7	110.9280	25.746	12	110.9280	25.746	12	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	108.9892	2.172	4	110.7650	20.990	7	110.9280	25.746	12	110.9280	25.746	12	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[5a]H)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]C[5a]H)(S[6]O[6]OO)(H){4|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	108.8060	0.000	1	108.8060	0.000	1	110.9280	25.746	12	110.9280	25.746	12	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<4>,3|C<3>}	105.4640	0.000	1	113.6760	134.874	2	110.9280	25.746	12	110.9280	25.746	12	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{4|C<3>}	121.8880	0.000	1	113.6760	134.874	2	110.9280	25.746	12	110.9280	25.746	12	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	2:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H){4|C<3>}	H(N[6]C[6]S[6])	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	109.8115	0.327	2	109.8115	0.107	2	110.9280	25.746	12	110.9280	25.746	12	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:2:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:O[6]-2:O-1:O-1:	N[6](C[6]C[5,6,6]HH)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2	N[6](C[6]C[5,6,6]HH)(S[6]O[6]OO)(H){3|C<4>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<4>,4|H<1>}	110.4420	0.000	1	110.4420	0.000	1	113.2840	29.752	5	113.2840	29.752	5	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:2:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:O[6]-2:O-1:O-1:	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H){1|C<4>,1|H<1>,1|O<2>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2{2|C<4>,3|H<1>}	111.1235	0.336	2	110.9850	0.114	3	113.2840	29.752	5	113.2840	29.752	5	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:2:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:O[6]-2:O-1:O-1:	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H){1|C<4>,2|H<1>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,2|C<4>,2|H<1>}	110.7080	0.000	1	110.9850	0.114	3	113.2840	29.752	5	113.2840	29.752	5	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:2:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:O[6]-2:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,1|C<4>,3|H<1>}	123.0230	0.000	1	123.0230	0.000	1	113.2840	29.752	5	113.2840	29.752	5	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6,6]-4:S[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(S[6]C[6,6a]OO)(H)	H(N[6]C[6,6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)2	N[6](C[6,6]C[6,6a]N[6,6]H)(S[6]C[6,6a]OO)(H){1|C<4>,4|C<3>}	H(N[6]C[6,6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)2{1|N<3>,2|H<1>,3|C<3>}	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H){1|H<1>,1|O<1>,4|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|H<1>,3|C<3>}	96.8112	0.000	1	106.4521	185.894	2	107.3961	64.097	4	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H){2|H<1>,4|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|H<1>,3|C<3>}	116.0930	0.000	1	106.4521	185.894	2	107.3961	64.097	4	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]N[6]H)(S[6]C[6,6a]OO)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](C[6]C[6a]N[6]H)(S[6]C[6,6a]OO)(H){1|H<1>,4|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<3>,2|H<1>,3|C<3>}	108.3400	1.683	2	108.3400	2.832	2	107.3961	64.097	4	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6,6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(S[6]N[6,6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(O)2	N[6](C[6]C[6a]C[6]H)(S[6]N[6,6]OO)(H){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6]S[6])	S[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(O)2{1|C<3>,3|C<4>,4|H<1>}	108.5700	0.000	1	108.5700	0.000	1	108.5700	0.000	1	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6,6]C)(N[6]C[6]H)(O)2	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H){1|H<1>,3|C<4>}	H(N[6]C[6]S[6])	S[6](N[6]C[6,6]C)(N[6]C[6]H)(O)2{1|C<3>,2|C<4>,2|H<1>}	111.0133	4.101	3	111.0133	16.818	3	110.6511	8.482	7	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]H)(S[6]N[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)2	N[6](C[6]C[6,6a]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,4|C<3>}	H(N[6]C[6]S[6])	S[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	112.4360	0.000	1	112.4360	0.000	1	110.6511	8.482	7	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H){1|H<1>,3|C<4>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2{1|C<3>,1|C<4>,3|H<1>}	107.1610	0.000	1	109.4645	10.612	2	110.6511	8.482	7	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H){2|C<4>,2|H<1>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2{1|C<3>,1|C<4>,3|H<1>}	111.7680	0.000	1	109.4645	10.612	2	110.6511	8.482	7	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	C[6]-4:S[6]-4:H-1:	N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(S[6]N[6]OO)(H)	H(N[6]C[6]S[6])	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(H){1|C<3>,2|C<4>}	H(N[6]C[6]S[6])	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2{1|C<3>,4|H<1>}	110.1530	0.000	1	110.1530	0.000	1	110.6511	8.482	7	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]2H)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{2|C<3>,2|C<4>,2|H<1>}	112.8180	2.210	2	112.8180	4.886	2	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{2|C<3>,2|C<4>,2|H<1>}	122.3130	0.000	1	122.3130	0.000	1	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|C<3>,3|H<1>}	108.7370	0.000	1	110.6709	15.665	14	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H){1|H<1>,1|N<4>,2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|C<3>,3|H<1>}	107.4165	6.311	2	110.6709	15.665	14	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H){1|N<2>,2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{3|C<3>,3|H<1>}	111.6926	3.731	10	110.6709	15.665	14	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{3|C<3>,3|H<1>}	108.8970	0.000	1	110.6709	15.665	14	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H){1|H<1>,2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.9780	6.108	2	112.9780	37.308	2	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){1|H<1>,2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<3>,2|C<3>,3|H<1>}	110.9308	1.835	12	110.7006	3.775	13	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){2|C<3>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<2>,2|C<3>,3|H<1>}	107.9380	0.000	1	110.7006	3.775	13	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<2>}	H(N[6]C[6]S[6])	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(O)2{1|N<3>,2|C<3>,2|H<1>}	101.5464	2.387	2	101.5464	5.696	2	110.7500	18.744	34	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	3:3:1:1:	S[6]-4:C[6]-4:H-1:	N[6]-3:	N[5,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]N[5,6]OO)(C[6]C[6]CH)(H)	H(N[6]C[6]S[6])	S[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(O)2	N[6](S[6]N[5,6]OO)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	H(N[6]C[6]S[6])	S[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(O)2{1|C<3>,3|C<4>,4|H<1>}	116.2460	0.000	1	116.2460	0.000	1	116.2460	0.000	1	110.5577	20.051	48	111.2683	21.375	74	111.2683	21.375	74
856	951	961	0:SP3_SP-NON_SP3	N[6]	H	S[6]	4:4:1:	3:	4:3:1:1:	C[5,6]-4:S[6]-4:H-1:	N[6]-3:	C[6]-4:N[6]-3:O-1:O-1:	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H)	H(N[6]C[5,6]S[6])	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(N[6]C[5,6]S[6])	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2{1|H<1>,1|O<2>,3|C<4>}	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	111.2683	21.375	74	111.2683	21.375	74
856	961	961	6:SP3_SP3_SP3	N[6]	S[6]	S[6]	4:4:2:	3:3:1:1:	3:3:1:1:	S[6]-4:S[6]-4:O-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)2(OC)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	N[6](S[6]C[6,6a]OO)2(OC){3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	115.3810	0.000	1	115.3810	0.000	1	115.1577	0.137	3	115.1577	0.137	3	115.1577	0.137	3	115.1577	0.137	3
856	961	961	6:SP3_SP3_SP3	N[6]	S[6]	S[6]	4:4:2:	3:3:1:1:	3:3:1:1:	S[6]-4:S[6]-4:O-2:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)2(OH)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	N[6](S[6]C[6,6a]OO)2(OH){3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	115.0460	0.447	2	115.0460	0.200	2	115.1577	0.137	3	115.1577	0.137	3	115.1577	0.137	3	115.1577	0.137	3
856	975	975	6:SP2_SP3_SP3	N[6]	Se[6]	Se[6]	2:2:4:	3:3:	3:3:	Se[6]-2:Se[6]-2:C-4:	N[6]-3:N[6]-3:	N[6]-3:N[6]-3:	N[6](Se[6]N[6])2(CC3)	Se[6](N[6]Se[6]C)2	Se[6](N[6]Se[6]C)2	N[6](Se[6]N[6])2(CC3){1|Se<2>,2|C<4>}	Se[6](N[6]Se[6]C)2{1|N<3>}	Se[6](N[6]Se[6]C)2{1|N<3>}	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4,6]	3:3:1:	3:3:3:	3:3:3:	N[4,6]-3:N[4]-3:Cl-1:	C[4,6]-3:C[6a]-3:Ge[4]-3:	C[4,6]-3:Ge[4]-3:C[6]-3:	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(Cl)	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]Cl)	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]Cl)(C[6]C[6]C)	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(Cl){1|C<4>,1|N<2>,3|C<3>}	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]Cl){2|H<1>,4|C<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>}	64.9964	0.000	1	64.9964	0.000	1	64.9964	0.000	1	64.9964	0.000	1	64.5969	0.319	2	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4,6]	3:3:3:	3:3:3:	3:3:3:	N[4,6]-3:N[4]-3:N-3:	C[4,6]-3:C[6a]-3:Ge[4]-3:	C[4,6]-3:Ge[4]-3:C[6]-3:	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(NC[6a]2)	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]N)	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]N)(C[6]C[6]C)	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(NC[6a]2){1|C<4>,1|N<2>,3|C<3>}	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]N){2|H<1>,4|C<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>}	64.1974	0.000	1	64.1974	0.000	1	64.1974	0.000	1	64.1974	0.000	1	64.5969	0.319	2	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:1:	4:3:3:	4:3:4:	N[4]-3:N[4]-3:Cl-1:	P[4]-4:C[6a]-3:Ge[4]-3:	P[4]-4:Ge[4]-3:C-4:	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]Cl)	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]Cl)(CC3)	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl){4|C<3>}	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]Cl){3|C<4>,6|C<3>}	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]Cl)(CC3){5|C<3>}	73.1397	0.081	2	73.1397	0.007	2	73.1397	0.007	2	73.1397	0.007	2	68.3182	15.808	10	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:1:	4:3:4:	4:3:4:	N[4]-3:N[4]-3:Cl-1:	P[4]-4:Ge[4]-3:C-4:	P[4]-4:Ge[4]-3:C-4:	Ge[4](N[4]P[4]C)2(Cl)	N[4](P[4]C[6a]N[4]H)(Ge[4]N[4]Cl)(CC3)	N[4](P[4]C[6a]N[4]H)(Ge[4]N[4]Cl)(CC3)	Ge[4](N[4]P[4]C)2(Cl){1|C<3>,1|H<1>}	N[4](P[4]C[6a]N[4]H)(Ge[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	N[4](P[4]C[6a]N[4]H)(Ge[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	73.3739	0.000	1	73.3739	0.000	1	73.3739	0.000	1	73.3739	0.000	1	68.3182	15.808	10	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:2:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:O-2:	C[4]-3:Ge[4]-3:C-4:	C[4]-3:Ge[4]-3:C-4:	Ge[4](N[4]C[4]C)2(OC[6a])	N[4](C[4]C[6a]N[4])(Ge[4]N[4]O)(CC3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]O)(CC3)	Ge[4](N[4]C[4]C)2(OC[6a]){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]O)(CC3){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]O)(CC3){1|C<4>,2|C<3>}	64.8060	0.046	2	64.8060	0.002	2	64.8060	0.002	2	64.8060	0.002	2	68.3182	15.808	10	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:2:	4:3:3:	4:3:4:	N[4]-3:N[4]-3:O-2:	P[4]-4:C[6a]-3:Ge[4]-3:	P[4]-4:Ge[4]-3:C-4:	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(OC)	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]O)	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]O)(CC3)	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(OC){4|C<3>}	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]O){3|C<4>,6|C<3>}	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]O)(CC3){5|C<3>}	71.9583	0.000	1	71.9583	0.000	1	71.9583	0.000	1	71.9583	0.000	1	68.3182	15.808	10	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:Ga[5]-3:	Ge[4]-3:C[6a]-3:C[4]-3:	Ge[4]-3:C[6a]-3:C[4]-3:	Ge[4](N[4]C[6a]C[4])2(Ga[5]N[5]2)	N[4](Ge[4]Ga[5]N[4])(C[6a]C[6a]2)(C[4]N[4]N)	N[4](Ge[4]Ga[5]N[4])(C[6a]C[6a]2)(C[4]N[4]N)	Ge[4](N[4]C[6a]C[4])2(Ga[5]N[5]2){1|N<3>,8|C<3>}	N[4](Ge[4]Ga[5]N[4])(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,2|N<3>,3|C<3>}	N[4](Ge[4]Ga[5]N[4])(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,2|N<3>,3|C<3>}	65.0257	0.000	1	65.0257	0.000	1	65.0257	0.000	1	65.0257	0.000	1	68.3182	15.808	10	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:3:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:N-3:	Ge[4]-3:C[4]-3:Si-4:	Ge[4]-3:C[4]-3:Si-4:	Ge[4](N[4]C[4]Si)2(NSi2)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(SiC3)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(SiC3)	Ge[4](N[4]C[4]Si)2(NSi2){1|C<4>}	N[4](Ge[4]N[4]N)(C[4]N[4]C)(SiC3){1|Si<4>}	N[4](Ge[4]N[4]N)(C[4]N[4]C)(SiC3){1|Si<4>}	65.6450	0.000	1	65.6450	0.000	1	65.6450	0.000	1	65.6450	0.000	1	68.3182	15.808	10	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:4:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:Ge-4:	C[4]-3:Ge[4]-3:Si-4:	C[4]-3:Ge[4]-3:Si-4:	Ge[4](N[4]C[4]Si)2(GeSi3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Ge)(SiC3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Ge)(SiC3)	Ge[4](N[4]C[4]Si)2(GeSi3){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Ge)(SiC3){1|Si<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Ge)(SiC3){1|Si<4>,2|C<3>}	65.6561	0.000	1	65.6561	0.000	1	65.6561	0.000	1	65.6439	0.000	2	68.3182	15.808	10	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:4:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:Si-4:	C[4]-3:Ge[4]-3:Si-4:	C[4]-3:Ge[4]-3:Si-4:	Ge[4](N[4]C[4]Si)2(SiSi3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Si)(SiC3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Si)(SiC3)	Ge[4](N[4]C[4]Si)2(SiSi3){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Si)(SiC3){1|Si<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Si)(SiC3){1|Si<4>,2|C<3>}	65.6316	0.000	1	65.6316	0.000	1	65.6316	0.000	1	65.6439	0.000	2	68.3182	15.808	10	67.6980	15.061	12
857	74	74	4:SP2_SP2_SP3	Ge[4]	N[4]	N[4]	3:3:1:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:Cl-1:	C[6a]-3:Ge[4]-3:C[4]-3:	C[6a]-3:Ge[4]-3:C[4]-3:	Ge[4](N[4]C[6a]C[4])2(Cl)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C)	Ge[4](N[4]C[6a]C[4])2(Cl){1|C<4>,4|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C){1|H<1>,1|P<3>,3|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C){2|C<4>,3|C<3>}	64.4039	0.000	1	64.4039	0.000	1	65.0847	0.927	2	65.0847	0.927	2	66.5893	14.487	5	66.5893	14.487	5
857	74	74	4:SP2_SP2_SP3	Ge[4]	N[4]	N[4]	3:3:1:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:Cl-1:	C[6a]-3:Ge[4]-3:C[4]-3:	C[6a]-3:Ge[4]-3:C[4]-3:	Ge[4](N[4]C[6a]C[4])2(Cl)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N)	Ge[4](N[4]C[6a]C[4])2(Cl){1|N<3>,4|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	65.7655	0.000	1	65.7655	0.000	1	65.0847	0.927	2	65.0847	0.927	2	66.5893	14.487	5	66.5893	14.487	5
857	74	74	4:SP2_SP2_SP3	Ge[4]	N[4]	N[4]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:N[6]-3:	Ge[4]-3:C[6a]-3:B[4]-3:	Ge[4]-3:C[6a]-3:B[4]-3:	Ge[4](N[4]C[6a]B[4])2(N[6]C[6]2)	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	Ge[4](N[4]C[6a]B[4])2(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	73.2913	0.000	1	73.2913	0.000	1	73.2913	0.000	1	73.2913	0.000	1	66.5893	14.487	5	66.5893	14.487	5
857	74	74	4:SP2_SP2_SP3	Ge[4]	N[4]	N[4]	3:3:3:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:N-3:	C[4]-3:Ge[4]-3:C-4:	C[4]-3:Ge[4]-3:C-4:	Ge[4](N[4]C[4]C)2(NC[6a]As)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3)	Ge[4](N[4]C[4]C)2(NC[6a]As){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3){1|C<4>,2|C<3>}	64.1277	0.000	1	64.1277	0.000	1	64.1277	0.000	1	64.1277	0.000	1	66.5893	14.487	5	66.5893	14.487	5
857	74	74	4:SP2_SP2_SP3	Ge[4]	N[4]	N[4]	3:3:4:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:C-4:	C[4]-3:Ge[4]-3:C-4:	C[4]-3:Ge[4]-3:C-4:	Ge[4](N[4]C[4]C)2(CC[6]HH)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3)	Ge[4](N[4]C[4]C)2(CC[6]HH){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3){1|C<4>,2|C<3>}	65.3580	0.000	1	65.3580	0.000	1	65.3580	0.000	1	65.3580	0.000	1	66.5893	14.487	5	66.5893	14.487	5
857	74	74	4:SP2_SP3_SP3	Ge[4]	N[4]	N[4]	3:3:1:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:Cl-1:	S[4]-3:Ge[4]-3:C-4:	S[4]-3:Ge[4]-3:C-4:	Ge[4](N[4]S[4]C)2(Cl)	N[4](S[4]C[6a]N[4])(Ge[4]N[4]Cl)(CC3)	N[4](S[4]C[6a]N[4])(Ge[4]N[4]Cl)(CC3)	Ge[4](N[4]S[4]C)2(Cl){1|C<3>}	N[4](S[4]C[6a]N[4])(Ge[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	N[4](S[4]C[6a]N[4])(Ge[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	72.7818	0.000	1	72.7818	0.000	1	72.7818	0.000	1	72.7818	0.000	1	68.6106	34.798	2	68.6106	34.798	2
857	74	74	4:SP2_SP3_SP3	Ge[4]	N[4]	N[4]	3:3:3:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:N-3:	Ge[4]-3:C[4]-3:C-4:	Ge[4]-3:C[4]-3:C-4:	Ge[4](N[4]C[4]C)2(NSi2)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH)	Ge[4](N[4]C[4]C)2(NSi2){1|C<4>}	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH){1|C<4>}	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH){1|C<4>}	64.4394	0.000	1	64.4394	0.000	1	64.4394	0.000	1	64.4394	0.000	1	68.6106	34.798	2	68.6106	34.798	2
857	74	310	0:SP2_SP2_SP3	Ge[4]	N[4]	Ge	3:3:4:	3:3:4:	3:4:4:4:	N[4]-3:N[4]-3:Ge-4:	C[4]-3:Ge[4]-3:Si-4:	Ge[4]-3:Si-4:Si-4:Si-4:	Ge[4](N[4]C[4]Si)2(GeSi3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Ge)(SiC3)	Ge(Ge[4]N[4]2)(SiC3)3	Ge[4](N[4]C[4]Si)2(GeSi3){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Ge)(SiC3){1|Si<4>,2|C<3>}	Ge(Ge[4]N[4]2)(SiC3)3	104.1005	0.791	2	104.1005	0.626	2	104.1005	0.626	2	104.1005	0.626	2	104.1005	0.626	2	104.1005	0.626	2
857	74	466	0:SP2_SP3_SP3	Ge[4,6,6]	N[4]	C[3x6]	4:4:3:	3:4:4:	3:3:4:1:	C[4,6,6]-4:C[3x6]-4:N[4]-3:	Ge[4,6,6]-3:P[4]-4:Si-4:	Ge[4,6,6]-3:C[3x6]-3:P[6,6]-4:H-1:	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si)	N[4](Ge[4,6,6]C[4,6,6]C[3x6])(P[4]C[4,6,6]CC)(SiC3)	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H)	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si){1|N<2>,2|C<3>,2|N<3>,4|C<4>}	N[4](Ge[4,6,6]C[4,6,6]C[3x6])(P[4]C[4,6,6]CC)(SiC3){1|Ge<3>,1|H<1>,1|P<4>,2|C<3>}	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H){1|Ge<3>,2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	96.6178	0.000	1	96.6178	0.000	1	96.6178	0.000	1	96.6178	0.000	1	96.6178	0.000	1	96.6178	0.000	1
857	74	478	0:SP2_SP2_SP3	Ge[4,4]	N[4,6]	C[4,4]	4:4:3:	3:3:3:	3:3:3:4:	C[4,4]-4:C[4,4]-4:N[4,6]-3:	C[6,6a]-3:C[4,6]-3:Ge[4,4]-3:	Ge[4,4]-3:Ge[4,4]-3:C[4,6]-3:P-4:	Ge[4,4](C[4,4]Ge[4,4]C[4,6]P)2(N[4,6]C[6,6a]C[4,6])	N[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,4]C[6])(Ge[4,4]C[4,4]2)	C[4,4](Ge[4,4]C[4,4]N[4,6])2(C[4,6]N[4,6]C[6])(PCCS)	Ge[4,4](C[4,4]Ge[4,4]C[4,6]P)2(N[4,6]C[6,6a]C[4,6]){1|N<3>,4|C<3>}	N[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,4]C[6])(Ge[4,4]C[4,4]2){1|Ge<3>,2|H<1>,2|P<4>,4|C<3>}	C[4,4](Ge[4,4]C[4,4]N[4,6])2(C[4,6]N[4,6]C[6])(PCCS){1|H<1>,1|P<4>,4|C<3>}	94.8130	1.950	2	94.8130	3.803	2	94.8130	3.803	2	94.8130	3.803	2	94.8130	3.803	2	94.8130	3.803	2
857	74	478	0:SP2_SP3_SP3	Ge[4,4]	N[4]	C[4,4]	4:4:3:	3:4:4:	3:3:3:4:	C[4,4]-4:C[4,4]-4:N[4]-3:	Ge[4,4]-3:P[4]-4:Si-4:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:P[4]-4:	Ge[4,4](C[4,4]Ge[4,4]C[6a]P[4])2(N[4]P[4]Si)	N[4](Ge[4,4]C[4,4]2)(P[4]C[4,4]CC)(SiC3)	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC)	Ge[4,4](C[4,4]Ge[4,4]C[6a]P[4])2(N[4]P[4]Si){1|N<3>,2|C<3>,2|N<2>,4|C<4>}	N[4](Ge[4,4]C[4,4]2)(P[4]C[4,4]CC)(SiC3){1|Ge<3>,1|P<4>,2|C<3>}	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	97.6269	1.021	2	97.6269	1.042	2	97.6269	1.042	2	97.6269	1.042	2	97.6269	1.042	2	97.6269	1.042	2
857	74	478	4:SP2_SP2_SP3	Ge[4,4]	N[4,6]	C[4,4]	4:4:3:	3:3:3:	3:3:3:4:	C[4,4]-4:C[4,4]-4:N[4,6]-3:	C[6,6a]-3:C[4,6]-3:Ge[4,4]-3:	Ge[4,4]-3:Ge[4,4]-3:C[4,6]-3:P-4:	Ge[4,4](C[4,4]Ge[4,4]C[4,6]P)2(N[4,6]C[6,6a]C[4,6])	N[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,4]C[6])(Ge[4,4]C[4,4]2)	C[4,4](Ge[4,4]C[4,4]N[4,6])2(C[4,6]N[4,6]C[6])(PCCS)	Ge[4,4](C[4,4]Ge[4,4]C[4,6]P)2(N[4,6]C[6,6a]C[4,6]){1|N<3>,4|C<3>}	N[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,4]C[6])(Ge[4,4]C[4,4]2){1|Ge<3>,2|H<1>,2|P<4>,4|C<3>}	C[4,4](Ge[4,4]C[4,4]N[4,6])2(C[4,6]N[4,6]C[6])(PCCS){1|H<1>,1|P<4>,4|C<3>}	66.3154	0.426	2	66.3154	0.181	2	66.3154	0.181	2	66.3154	0.181	2	66.3154	0.181	2	69.6525	33.499	3
857	74	478	4:SP2_SP2_SP3	Ge[4,5]	N[4]	C[4,5]	4:3:3:	3:4:4:	3:4:4:2:	C[4,5]-4:N[4]-3:N[5]-3:	Ge[4,5]-3:P[4]-4:Si-4:	Ge[4,5]-3:P[4]-4:P-4:N[5]-2:	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si)	N[4](Ge[4,5]C[4,5]N[5])(P[4]C[4,5]C[6a]2)(SiC3)	C[4,5](Ge[4,5]N[4]N[5])(P[4]C[6a]2N[4])(PC[6a]2N)(N[5]N[5])	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si){2|C<3>}	N[4](Ge[4,5]C[4,5]N[5])(P[4]C[4,5]C[6a]2)(SiC3){1|Si<4>,1|P<4>,2|N<2>,4|C<3>}	C[4,5](Ge[4,5]N[4]N[5])(P[4]C[6a]2N[4])(PC[6a]2N)(N[5]N[5]){2|Si<4>,4|C<3>}	76.3267	0.000	1	76.3267	0.000	1	76.3267	0.000	1	76.3267	0.000	1	76.3267	0.000	1	69.6525	33.499	3
857	74	478	4:SP2_SP3_SP3	Ge[4,4]	N[4]	C[4,4]	4:4:3:	3:4:4:	3:3:3:4:	C[4,4]-4:C[4,4]-4:N[4]-3:	Ge[4,4]-3:P[4]-4:Si-4:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:P[4]-4:	Ge[4,4](C[4,4]Ge[4,4]C[6a]P[4])2(N[4]P[4]Si)	N[4](Ge[4,4]C[4,4]2)(P[4]C[4,4]CC)(SiC3)	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC)	Ge[4,4](C[4,4]Ge[4,4]C[6a]P[4])2(N[4]P[4]Si){1|N<3>,2|C<3>,2|N<2>,4|C<4>}	N[4](Ge[4,4]C[4,4]2)(P[4]C[4,4]CC)(SiC3){1|Ge<3>,1|P<4>,2|C<3>}	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	75.5243	1.218	2	75.5243	1.485	2	75.5243	1.485	2	75.5243	1.485	2	75.5243	1.485	2	76.1046	1.753	3
857	74	478	4:SP2_SP3_SP3	Ge[4,6,6]	N[4]	C[4,6,6]	4:4:3:	3:4:4:	3:3:3:4:	C[4,6,6]-4:C[3x6]-4:N[4]-3:	Ge[4,6,6]-3:P[4]-4:Si-4:	Ge[3x6]-3:Ge[4,6,6]-3:C[6a]-3:P[4]-4:	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si)	N[4](Ge[4,6,6]C[4,6,6]C[3x6])(P[4]C[4,6,6]CC)(SiC3)	C[4,6,6](Ge[3x6]N[3x6]N[6,6])(Ge[4,6,6]C[3x6]N[4])(C[6a]C[6a]N[6a])(P[4]N[4]CC)	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si){1|N<2>,2|C<3>,2|N<3>,4|C<4>}	N[4](Ge[4,6,6]C[4,6,6]C[3x6])(P[4]C[4,6,6]CC)(SiC3){1|Ge<3>,1|H<1>,1|P<4>,2|C<3>}	C[4,6,6](Ge[3x6]N[3x6]N[6,6])(Ge[4,6,6]C[3x6]N[4])(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|P<4>,2|H<1>,4|C<3>}	77.2653	0.000	1	77.2653	0.000	1	77.2653	0.000	1	77.2653	0.000	1	77.2653	0.000	1	76.1046	1.753	3
857	74	490	0:SP2_SP2_SP3	Ge[4]	N[4]	C	3:3:4:	3:3:4:	3:3:1:1:	N[4]-3:N[4]-3:C-4:	C[4]-3:Ge[4]-3:C-4:	C[6]-3:Ge[4]-3:H-1:H-1:	Ge[4](N[4]C[4]C)2(CC[6]HH)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3)	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	Ge[4](N[4]C[4]C)2(CC[6]HH){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	97.9656	0.000	1	97.9656	0.000	1	97.9656	0.000	1	97.9656	0.000	1	97.9656	0.000	1	97.9656	0.000	1
857	74	490	0:SP2_SP3_SP3	Ge[4]	N[4]	C	3:3:4:	3:3:4:	3:3:1:1:	N[4]-3:N[4]-3:C-4:	C[4]-3:Ge[4]-3:C-4:	C[6]-3:Ge[4]-3:H-1:H-1:	Ge[4](N[4]C[4]C)2(CC[6]HH)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3)	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	Ge[4](N[4]C[4]C)2(CC[6]HH){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	93.5098	0.000	1	93.5098	0.000	1	93.5098	0.000	1	93.5098	0.000	1	93.5098	0.000	1	93.5098	0.000	1
857	74	542	0:SP2_SP2_SP2	Ge[4,5]	N[4]	N[5]	4:3:3:	3:4:4:	3:2:4:	C[4,5]-4:N[4]-3:N[5]-3:	Ge[4,5]-3:P[4]-4:Si-4:	Ge[4,5]-3:N[5]-2:Si-4:	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si)	N[4](Ge[4,5]C[4,5]N[5])(P[4]C[4,5]C[6a]2)(SiC3)	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3)	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si){2|C<3>}	N[4](Ge[4,5]C[4,5]N[5])(P[4]C[4,5]C[6a]2)(SiC3){1|Si<4>,1|P<4>,2|N<2>,4|C<3>}	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3){1|Si<4>,2|P<4>}	97.9542	0.000	1	97.9542	0.000	1	97.9542	0.000	1	97.9542	0.000	1	97.9542	0.000	1	97.9542	0.000	1
857	74	790	0:SP2_SP-NON_SP2	Ge[4]	N[4,6]	Cl	3:3:1:	3:3:3:	3:	N[4,6]-3:N[4]-3:Cl-1:	C[4,6]-3:Ge[4]-3:C[6]-3:	Ge[4]-3:	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(Cl)	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]Cl)(C[6]C[6]C)	Cl(Ge[4]N[4,6]N[4])	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(Cl){1|C<4>,1|N<2>,3|C<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>}	Cl(Ge[4]N[4,6]N[4])	93.4848	0.000	1	93.4848	0.000	1	93.4848	0.000	1	93.4848	0.000	1	93.4848	0.000	1	98.0537	11.407	11
857	74	790	0:SP2_SP-NON_SP2	Ge[4]	N[4]	Cl	3:3:1:	3:3:3:	3:	N[4,6]-3:N[4]-3:Cl-1:	C[4,6]-3:C[6a]-3:Ge[4]-3:	Ge[4]-3:	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(Cl)	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]Cl)	Cl(Ge[4]N[4,6]N[4])	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(Cl){1|C<4>,1|N<2>,3|C<3>}	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]Cl){2|H<1>,4|C<3>}	Cl(Ge[4]N[4,6]N[4])	94.2342	0.000	1	94.2342	0.000	1	94.2342	0.000	1	95.9647	11.337	3	98.5106	10.123	10	98.0537	11.407	11
857	74	790	0:SP2_SP-NON_SP2	Ge[4]	N[4]	Cl	3:3:1:	3:3:3:	3:	N[4]-3:N[4]-3:Cl-1:	C[6a]-3:Ge[4]-3:C[4]-3:	Ge[4]-3:	Ge[4](N[4]C[6a]C[4])2(Cl)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C)	Cl(Ge[4]N[4]2)	Ge[4](N[4]C[6a]C[4])2(Cl){1|C<4>,4|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C){1|H<1>,1|P<3>,3|C<3>}	Cl(Ge[4]N[4]2)	93.8148	0.000	1	93.8148	0.000	1	96.8299	18.182	2	95.9647	11.337	3	98.5106	10.123	10	98.0537	11.407	11
857	74	790	0:SP2_SP-NON_SP2	Ge[4]	N[4]	Cl	3:3:1:	3:3:3:	3:	N[4]-3:N[4]-3:Cl-1:	C[6a]-3:Ge[4]-3:C[4]-3:	Ge[4]-3:	Ge[4](N[4]C[6a]C[4])2(Cl)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N)	Cl(Ge[4]N[4]2)	Ge[4](N[4]C[6a]C[4])2(Cl){1|N<3>,4|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	Cl(Ge[4]N[4]2)	99.8451	0.000	1	99.8451	0.000	1	96.8299	18.182	2	95.9647	11.337	3	98.5106	10.123	10	98.0537	11.407	11
857	74	790	0:SP2_SP-NON_SP2	Ge[4]	N[4]	Cl	3:3:1:	4:3:3:	3:	N[4]-3:N[4]-3:Cl-1:	P[4]-4:C[6a]-3:Ge[4]-3:	Ge[4]-3:	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]Cl)	Cl(Ge[4]N[4]2)	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl){4|C<3>}	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]Cl){3|C<4>,6|C<3>}	Cl(Ge[4]N[4]2)	96.5671	0.621	2	96.5671	0.386	2	96.5671	0.386	2	96.5671	0.386	2	98.5106	10.123	10	98.0537	11.407	11
857	74	790	0:SP2_SP-NON_SP2	Ge[4]	N[4]	Cl	3:3:1:	4:3:4:	3:	N[4]-3:N[4]-3:Cl-1:	P[4]-4:Ge[4]-3:C-4:	Ge[4]-3:	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl)	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]Cl)(CC3)	Cl(Ge[4]N[4]2)	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(Cl){4|C<3>}	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]Cl)(CC3){5|C<3>}	Cl(Ge[4]N[4]2)	102.3365	0.216	2	102.3365	0.047	2	100.5401	4.322	4	100.5401	4.322	4	98.5106	10.123	10	98.0537	11.407	11
857	74	790	0:SP2_SP-NON_SP2	Ge[4]	N[4]	Cl	3:3:1:	4:3:4:	3:	N[4]-3:N[4]-3:Cl-1:	P[4]-4:Ge[4]-3:C-4:	Ge[4]-3:	Ge[4](N[4]P[4]C)2(Cl)	N[4](P[4]C[6a]N[4]H)(Ge[4]N[4]Cl)(CC3)	Cl(Ge[4]N[4]2)	Ge[4](N[4]P[4]C)2(Cl){1|C<3>,1|H<1>}	N[4](P[4]C[6a]N[4]H)(Ge[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	Cl(Ge[4]N[4]2)	98.7437	0.111	2	98.7437	0.012	2	100.5401	4.322	4	100.5401	4.322	4	98.5106	10.123	10	98.0537	11.407	11
857	74	790	0:SP2_SP-NON_SP2	Ge[4]	N[4]	Cl	4:3:1:	4:3:4:	3:	C[4]-4:N[4]-3:Cl-1:	P[4]-4:Ge[4]-3:Si-4:	Ge[4]-3:	Ge[4](C[4]P[4]RhP)(N[4]P[4]Si)(Cl)	N[4](P[4]C[6a]2C[4])(Ge[4]C[4]Cl)(SiC3)	Cl(Ge[4]C[4]N[4])	Ge[4](C[4]P[4]RhP)(N[4]P[4]Si)(Cl){2|C<3>}	N[4](P[4]C[6a]2C[4])(Ge[4]C[4]Cl)(SiC3){1|Rh<7>,1|P<5>,4|C<3>}	Cl(Ge[4]C[4]N[4])	101.9170	0.000	1	101.9170	0.000	1	101.9170	0.000	1	101.9170	0.000	1	98.5106	10.123	10	98.0537	11.407	11
857	74	790	0:SP2_SP-NON_SP3	Ge[4]	N[4]	Cl	3:3:1:	3:3:3:	3:	N[4]-3:N[4]-3:Cl-1:	C[6a]-3:Ge[4]-3:C[4]-3:	Ge[4]-3:	Ge[4](N[4]C[6a]C[4])2(Cl)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C)	Cl(Ge[4]N[4]2)	Ge[4](N[4]C[6a]C[4])2(Cl){1|C<4>,4|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C){2|C<4>,3|C<3>}	Cl(Ge[4]N[4]2)	96.8858	0.000	1	96.8858	0.000	1	99.4434	13.083	2	99.4434	13.083	2	99.4507	4.363	4	99.4507	4.363	4
857	74	790	0:SP2_SP-NON_SP3	Ge[4]	N[4]	Cl	3:3:1:	3:3:3:	3:	N[4]-3:N[4]-3:Cl-1:	C[6a]-3:Ge[4]-3:C[4]-3:	Ge[4]-3:	Ge[4](N[4]C[6a]C[4])2(Cl)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N)	Cl(Ge[4]N[4]2)	Ge[4](N[4]C[6a]C[4])2(Cl){1|N<3>,4|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	Cl(Ge[4]N[4]2)	102.0010	0.000	1	102.0010	0.000	1	99.4434	13.083	2	99.4434	13.083	2	99.4507	4.363	4	99.4507	4.363	4
857	74	790	0:SP2_SP-NON_SP3	Ge[4]	N[4]	Cl	3:3:1:	3:3:4:	3:	N[4]-3:N[4]-3:Cl-1:	S[4]-3:Ge[4]-3:C-4:	Ge[4]-3:	Ge[4](N[4]S[4]C)2(Cl)	N[4](S[4]C[6a]N[4])(Ge[4]N[4]Cl)(CC3)	Cl(Ge[4]N[4]2)	Ge[4](N[4]S[4]C)2(Cl){1|C<3>}	N[4](S[4]C[6a]N[4])(Ge[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	Cl(Ge[4]N[4]2)	99.4579	0.069	2	99.4579	0.005	2	99.4579	0.005	2	99.4579	0.005	2	99.4507	4.363	4	99.4507	4.363	4
857	74	838	0:SP2_SP-NON_SP2	Ge[4]	N[4]	Ga[5]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:Ga[5]-3:	Ge[4]-3:C[6a]-3:C[4]-3:	N[5]-3:N[5]-3:Ge[4]-3:	Ge[4](N[4]C[6a]C[4])2(Ga[5]N[5]2)	N[4](Ge[4]Ga[5]N[4])(C[6a]C[6a]2)(C[4]N[4]N)	Ga[5](N[5]C[6a]C[5])2(Ge[4]N[4]2)	Ge[4](N[4]C[6a]C[4])2(Ga[5]N[5]2){1|N<3>,8|C<3>}	N[4](Ge[4]Ga[5]N[4])(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,2|N<3>,3|C<3>}	Ga[5](N[5]C[6a]C[5])2(Ge[4]N[4]2){2|H<1>,7|C<3>}	107.0245	2.765	2	107.0245	7.648	2	107.0245	7.648	2	107.0245	7.648	2	107.0245	7.648	2	107.0245	7.648	2
857	74	856	0:SP2_SP2_SP2	Ge[4]	N[4]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:N[6]-3:	Ge[4]-3:C[6a]-3:B[4]-3:	Ge[4]-3:C[6]-3:C[6]-3:	Ge[4](N[4]C[6a]B[4])2(N[6]C[6]2)	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	N[6](Ge[4]N[4]2)(C[6]C[6]H)2	Ge[4](N[4]C[6a]B[4])2(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	N[6](Ge[4]N[4]2)(C[6]C[6]H)2{1|B<3>,2|H<1>,3|C<3>}	95.9086	0.000	1	95.9086	0.000	1	95.9086	0.000	1	95.9086	0.000	1	95.9086	0.000	1	95.9086	0.000	1
857	74	856	0:SP2_SP2_SP3	Ge[4]	N[4]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:N[6]-3:	Ge[4]-3:C[6a]-3:B[4]-3:	Ge[4]-3:C[6]-3:C[6]-3:	Ge[4](N[4]C[6a]B[4])2(N[6]C[6]2)	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	N[6](Ge[4]N[4]2)(C[6]C[6]H)2	Ge[4](N[4]C[6a]B[4])2(N[6]C[6]2){1|N<3>,2|H<1>,6|C<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	N[6](Ge[4]N[4]2)(C[6]C[6]H)2{1|B<3>,2|H<1>,3|C<3>}	94.0974	0.000	1	94.0974	0.000	1	94.0974	0.000	1	94.0974	0.000	1	94.0974	0.000	1	94.0974	0.000	1
857	74	880	0:SP2_SP2_SP3	Ge[4]	N[4]	Si	3:3:4:	3:3:4:	3:4:4:4:	N[4]-3:N[4]-3:Si-4:	C[4]-3:Ge[4]-3:Si-4:	Ge[4]-3:Si-4:Si-4:Si-4:	Ge[4](N[4]C[4]Si)2(SiSi3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Si)(SiC3)	Si(Ge[4]N[4]2)(SiC3)3	Ge[4](N[4]C[4]Si)2(SiSi3){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Si)(SiC3){1|Si<4>,2|C<3>}	Si(Ge[4]N[4]2)(SiC3)3	104.3675	0.794	2	104.3675	0.631	2	104.3675	0.631	2	104.3675	0.631	2	104.3675	0.631	2	104.3675	0.631	2
857	74	893	0:SP2_SP2_SP2	Ge[4]	N[4]	O	3:3:2:	3:3:4:	3:3:	N[4]-3:N[4]-3:O-2:	C[4]-3:Ge[4]-3:C-4:	C[6a]-3:Ge[4]-3:	Ge[4](N[4]C[4]C)2(OC[6a])	N[4](C[4]C[6a]N[4])(Ge[4]N[4]O)(CC3)	O(C[6a]C[6a]2)(Ge[4]N[4]2)	Ge[4](N[4]C[4]C)2(OC[6a]){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]O)(CC3){1|C<4>,2|C<3>}	O(C[6a]C[6a]2)(Ge[4]N[4]2)	94.1897	2.258	4	94.1897	5.100	4	94.1897	5.100	4	94.1897	5.100	4	94.3089	3.143	6	94.3089	3.143	6
857	74	893	0:SP2_SP2_SP2	Ge[4]	N[4]	O	3:3:2:	4:3:3:	3:4:	N[4]-3:N[4]-3:O-2:	P[4]-4:C[6a]-3:Ge[4]-3:	Ge[4]-3:C-4:	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(OC)	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]O)	O(Ge[4]N[4]2)(CC3)	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(OC){4|C<3>}	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]O){3|C<4>,6|C<3>}	O(Ge[4]N[4]2)(CC3)	94.1985	0.000	1	94.1985	0.000	1	94.1985	0.000	1	94.1985	0.000	1	94.3089	3.143	6	94.3089	3.143	6
857	74	893	0:SP2_SP2_SP2	Ge[4]	N[4]	O	3:3:2:	4:3:4:	3:4:	N[4]-3:N[4]-3:O-2:	P[4]-4:Ge[4]-3:C-4:	Ge[4]-3:C-4:	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(OC)	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]O)(CC3)	O(Ge[4]N[4]2)(CC3)	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(OC){4|C<3>}	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]O)(CC3){5|C<3>}	O(Ge[4]N[4]2)(CC3)	94.8961	0.000	1	94.8961	0.000	1	94.8961	0.000	1	94.8961	0.000	1	94.3089	3.143	6	94.3089	3.143	6
857	74	956	0:SP2_SP2_SP2	Ge[4]	N[4,6]	N	3:3:3:	3:3:3:	3:3:3:	N[4,6]-3:N[4]-3:N-3:	C[4,6]-3:Ge[4]-3:C[6]-3:	C[6a]-3:C[6a]-3:Ge[4]-3:	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(NC[6a]2)	N[4,6](C[4,6]C[6]N[4])(Ge[4]N[4]N)(C[6]C[6]C)	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(NC[6a]2){1|C<4>,1|N<2>,3|C<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>}	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	96.0007	0.000	1	96.0007	0.000	1	96.0007	0.000	1	96.0007	0.000	1	96.0007	0.000	1	99.3302	31.245	5
857	74	956	0:SP2_SP2_SP2	Ge[4]	N[4]	N	3:3:3:	3:3:3:	3:3:3:	N[4,6]-3:N[4]-3:N-3:	C[4,6]-3:C[6a]-3:Ge[4]-3:	C[6a]-3:C[6a]-3:Ge[4]-3:	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(NC[6a]2)	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]N)	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(NC[6a]2){1|C<4>,1|N<2>,3|C<3>}	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	92.1526	0.000	1	92.1526	0.000	1	92.1526	0.000	1	92.1526	0.000	1	100.1626	37.041	4	99.3302	31.245	5
857	74	956	0:SP2_SP2_SP2	Ge[4]	N[4]	N	3:3:3:	3:3:4:	3:3:3:	N[4]-3:N[4]-3:N-3:	C[4]-3:Ge[4]-3:C-4:	C[6a]-3:Ge[4]-3:As-3:	Ge[4](N[4]C[4]C)2(NC[6a]As)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3)	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	Ge[4](N[4]C[4]C)2(NC[6a]As){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	98.7038	0.000	1	98.7038	0.000	1	98.7038	0.000	1	98.7038	0.000	1	100.1626	37.041	4	99.3302	31.245	5
857	74	956	0:SP2_SP2_SP2	Ge[4]	N[4]	N	3:3:3:	3:3:4:	3:4:4:	N[4]-3:N[4]-3:N-3:	Ge[4]-3:C[4]-3:Si-4:	Ge[4]-3:Si-4:Si-4:	Ge[4](N[4]C[4]Si)2(NSi2)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(SiC3)	N(Ge[4]N[4]2)(SiC3)2	Ge[4](N[4]C[4]Si)2(NSi2){1|C<4>}	N[4](Ge[4]N[4]N)(C[4]N[4]C)(SiC3){1|Si<4>}	N(Ge[4]N[4]2)(SiC3)2	104.8970	0.081	2	104.8970	0.006	2	104.8970	0.006	2	104.8970	0.006	2	100.1626	37.041	4	99.3302	31.245	5
857	74	956	0:SP2_SP2_SP3	Ge[4]	N[4]	N	3:3:3:	3:3:4:	3:3:3:	N[4]-3:N[4]-3:N-3:	C[4]-3:Ge[4]-3:C-4:	C[6a]-3:Ge[4]-3:As-3:	Ge[4](N[4]C[4]C)2(NC[6a]As)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3)	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	Ge[4](N[4]C[4]C)2(NC[6a]As){1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	105.0370	0.000	1	105.0370	0.000	1	105.0370	0.000	1	105.0370	0.000	1	105.6577	0.988	3	105.6577	0.988	3
857	74	956	0:SP2_SP2_SP3	Ge[4]	N[4]	N	3:3:3:	3:3:4:	3:4:4:	N[4]-3:N[4]-3:N-3:	Ge[4]-3:C[4]-3:C-4:	Ge[4]-3:Si-4:Si-4:	Ge[4](N[4]C[4]C)2(NSi2)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH)	N(Ge[4]N[4]2)(SiC3)2	Ge[4](N[4]C[4]C)2(NSi2){1|C<4>}	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH){1|C<4>}	N(Ge[4]N[4]2)(SiC3)2	105.9680	1.182	2	105.9680	1.398	2	105.9680	1.398	2	105.9680	1.398	2	105.6577	0.988	3	105.6577	0.988	3
857	74	980	4:SP2_SP2_SP3	Ge[4,4]	N[4]	N[4,4]	4:4:3:	3:3:3:	3:3:3:3:	N[4,4]-4:N[4,4]-4:N[4]-3:	Ge[4,4]-3:B[4]-3:C[6a]-3:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:B[4]-3:	Ge[4,4](N[4,4]Ge[4,4]C[6a]B[4])2(N[4]C[6a]B[4])	N[4](Ge[4,4]N[4,4]2)(B[4]N[4,4]N)(C[6a]C[6a]2)	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N)	Ge[4,4](N[4,4]Ge[4,4]C[6a]B[4])2(N[4]C[6a]B[4]){3|N<3>,6|C<3>}	N[4](Ge[4,4]N[4,4]2)(B[4]N[4,4]N)(C[6a]C[6a]2){1|Ge<3>,1|B<3>,2|C<4>,4|C<3>}	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N){1|B<3>,2|C<4>,5|C<3>}	84.2200	19.359	2	84.2200	374.766	2	84.2200	374.766	2	84.2200	374.766	2	84.2200	374.766	2	84.2200	374.766	2
857	262	262	0:SP2_SP1_SP1	Ge[4,4]	Ge[4]	Ge[4]	4:2:2:	3:3:	3:3:	Ge[4x4]-4:Ge[4]-2:Ge[4]-2:	Ge[4,4]-3:Ge[4,4]-3:	Ge[4,4]-3:Ge[4,4]-3:	Ge[4,4](Ge[4x4]Ge[4,4]3)(Ge[4]Ge[4,4])2	Ge[4](Ge[4,4]Ge[4x4]Ge[4])2	Ge[4](Ge[4,4]Ge[4x4]Ge[4])2	Ge[4,4](Ge[4x4]Ge[4,4]3)(Ge[4]Ge[4,4])2{2|Ge<2>}	Ge[4](Ge[4,4]Ge[4x4]Ge[4])2{2|Ge<3>}	Ge[4](Ge[4,4]Ge[4x4]Ge[4])2{2|Ge<3>}	63.7649	0.668	4	63.7649	0.446	4	63.7649	0.446	4	63.7649	0.446	4	63.7649	0.446	4	63.7649	0.446	4
857	262	262	4:SP2_SP1_SP1	Ge[3x4]	Ge[4,4]	Ge[4,4]	2:2:2:	3:3:	3:3:	Ge[4,4]-2:Ge[4,4]-2:Ge[4,4]-2:	Ge[3x4]-3:Ge[3x4]-3:	Ge[3x4]-3:Ge[3x4]-3:	Ge[3x4](Ge[4,4]Ge[3x4])3	Ge[4,4](Ge[3x4]Ge[4,4]2)2	Ge[4,4](Ge[3x4]Ge[4,4]2)2	Ge[3x4](Ge[4,4]Ge[3x4])3	Ge[4,4](Ge[3x4]Ge[4,4]2)2	Ge[4,4](Ge[3x4]Ge[4,4]2)2	65.2535	0.466	18	65.2535	0.217	18	65.2535	0.217	18	65.2535	0.217	18	65.2535	0.217	18	65.2535	0.217	18
857	262	634	4:SP2_SP1_SP3	Ge[4,4x5,6]	Ge[4,5,6]	Ge[3,3,4,4x5]	4:3:2:	4:3:	4:4:3:3:	Ge[3,3,4,4x5]-4:Ge[3,4x5,6]-3:Ge[4,5,6]-2:	Ge[3,4,4,3x5,6]-4:Ge[4,4x5,6]-3:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6]){1|Ge<3>,1|Ge<4>}	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	69.2822	0.000	1	69.2822	0.000	1	69.2822	0.000	1	69.2822	0.000	1	69.2822	0.000	1	69.2822	0.000	1
857	262	907	4:SP2_SP1_SP3	Ge[4,4]	Ge[4]	Ge[4x4]	4:2:2:	3:3:	3:3:3:3:	Ge[4x4]-4:Ge[4]-2:Ge[4]-2:	Ge[4,4]-3:Ge[4,4]-3:	Ge[4,4]-3:Ge[4,4]-3:Ge[4,4]-3:Ge[4,4]-3:	Ge[4,4](Ge[4x4]Ge[4,4]3)(Ge[4]Ge[4,4])2	Ge[4](Ge[4,4]Ge[4x4]Ge[4])2	Ge[4x4](Ge[4,4]Ge[4]2)4	Ge[4,4](Ge[4x4]Ge[4,4]3)(Ge[4]Ge[4,4])2{2|Ge<2>}	Ge[4](Ge[4,4]Ge[4x4]Ge[4])2{2|Ge<3>}	Ge[4x4](Ge[4,4]Ge[4]2)4	108.3160	0.565	8	108.3160	0.319	8	108.3160	0.319	8	108.3160	0.319	8	108.3160	0.319	8	106.5000	29.959	9
857	262	907	4:SP2_SP1_SP3	Ge[4]	Ge[4]	Ge[4,4]	4:2:3:	4:3:	4:3:2:3:	Ge[4,4]-4:Ge[4]-2:N-3:	Ge[4,4]-4:Ge[4]-3:	Ge[4,4]-4:Ge[4]-3:Ge[4]-2:N-3:	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si)	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4]N)	Ge[4,4](Ge[4,4]Ge[4]2N)(Ge[4]Ge[4]N)(Ge[4]Ge[4])(NC[6a]Si)	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si){1|Ge<3>,1|N<3>}	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4]N){1|Ge<2>,2|N<3>}	Ge[4,4](Ge[4,4]Ge[4]2N)(Ge[4]Ge[4]N)(Ge[4]Ge[4])(NC[6a]Si){1|N<3>}	91.9724	0.000	1	91.9724	0.000	1	91.9724	0.000	1	91.9724	0.000	1	91.9724	0.000	1	106.5000	29.959	9
857	262	938	6:SP2_SP1_SP2	Ge[4,4x5,6]	Ge[4,5,6]	Ge[3,4x5,6]	4:3:2:	4:3:	4:3:3:	Ge[3,3,4,4x5]-4:Ge[3,4x5,6]-3:Ge[4,5,6]-2:	Ge[3,4,4,3x5,6]-4:Ge[4,4x5,6]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-3:Ge[4,4x5,6]-3:	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6])	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[4,5,6](Ge[3,4,4,3x5,6]Ge[3,3,4,4x5]Ge[3x3,4,5,6]Ge[3,4,3x5])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[3,4x5,6]){1|Ge<3>,1|Ge<4>}	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	66.9073	0.000	1	66.9073	0.000	1	66.9073	0.000	1	66.9073	0.000	1	66.9073	0.000	1	66.9073	0.000	1
857	262	956	0:SP2_SP1_SP2	Ge[4]	Ge[4]	N	4:2:3:	4:3:	3:3:4:	Ge[4,4]-4:Ge[4]-2:N-3:	Ge[4,4]-4:Ge[4]-3:	Ge[4]-3:C[6a]-3:Si-4:	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si)	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4]N)	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si){1|Ge<3>,1|N<3>}	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4]N){1|Ge<2>,2|N<3>}	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1
857	466	478	6:SP2_SP3_SP3	Ge[4,6,6]	C[3x6]	C[4,6,6]	4:4:3:	3:3:4:1:	3:3:3:4:	C[4,6,6]-4:C[3x6]-4:N[4]-3:	Ge[4,6,6]-3:C[3x6]-3:P[6,6]-4:H-1:	Ge[3x6]-3:Ge[4,6,6]-3:C[6a]-3:P[4]-4:	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si)	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H)	C[4,6,6](Ge[3x6]N[3x6]N[6,6])(Ge[4,6,6]C[3x6]N[4])(C[6a]C[6a]N[6a])(P[4]N[4]CC)	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si){1|N<2>,2|C<3>,2|N<3>,4|C<4>}	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H){1|Ge<3>,2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[4,6,6](Ge[3x6]N[3x6]N[6,6])(Ge[4,6,6]C[3x6]N[4])(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|P<4>,2|H<1>,4|C<3>}	96.7862	0.000	1	96.7862	0.000	1	96.7862	0.000	1	96.7862	0.000	1	96.7862	0.000	1	96.7862	0.000	1
857	478	478	4:SP2_SP3_SP3	Ge[4,4]	C[4,4]	C[4,4]	4:4:3:	3:3:3:4:	3:3:3:4:	C[4,4]-4:C[4,4]-4:N[4,6]-3:	Ge[4,4]-3:Ge[4,4]-3:C[4,6]-3:P-4:	Ge[4,4]-3:Ge[4,4]-3:C[4,6]-3:P-4:	Ge[4,4](C[4,4]Ge[4,4]C[4,6]P)2(N[4,6]C[6,6a]C[4,6])	C[4,4](Ge[4,4]C[4,4]N[4,6])2(C[4,6]N[4,6]C[6])(PCCS)	C[4,4](Ge[4,4]C[4,4]N[4,6])2(C[4,6]N[4,6]C[6])(PCCS)	Ge[4,4](C[4,4]Ge[4,4]C[4,6]P)2(N[4,6]C[6,6a]C[4,6]){1|N<3>,4|C<3>}	C[4,4](Ge[4,4]C[4,4]N[4,6])2(C[4,6]N[4,6]C[6])(PCCS){1|H<1>,1|P<4>,4|C<3>}	C[4,4](Ge[4,4]C[4,4]N[4,6])2(C[4,6]N[4,6]C[6])(PCCS){1|H<1>,1|P<4>,4|C<3>}	92.1736	0.806	2	92.1736	0.650	2	92.1736	0.650	2	90.4171	4.332	4	90.4171	4.332	4	90.4171	4.332	4
857	478	478	4:SP2_SP3_SP3	Ge[4,4]	C[4,4]	C[4,4]	4:4:3:	3:3:3:4:	3:3:3:4:	C[4,4]-4:C[4,4]-4:N[4]-3:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:P[4]-4:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:P[4]-4:	Ge[4,4](C[4,4]Ge[4,4]C[6a]P[4])2(N[4]P[4]Si)	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC)	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC)	Ge[4,4](C[4,4]Ge[4,4]C[6a]P[4])2(N[4]P[4]Si){1|N<3>,2|C<3>,2|N<2>,4|C<4>}	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[4,4](Ge[4,4]C[4,4]N[4])2(C[6a]C[6a]N[6a])(P[4]N[4]CC){2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	88.6606	0.078	2	88.6606	0.006	2	88.6606	0.006	2	90.4171	4.332	4	90.4171	4.332	4	90.4171	4.332	4
857	478	542	5:SP2_SP2_SP3	Ge[4,5]	C[4,5]	N[5]	4:3:3:	3:4:4:2:	3:2:4:	C[4,5]-4:N[4]-3:N[5]-3:	Ge[4,5]-3:P[4]-4:P-4:N[5]-2:	Ge[4,5]-3:N[5]-2:Si-4:	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si)	C[4,5](Ge[4,5]N[4]N[5])(P[4]C[6a]2N[4])(PC[6a]2N)(N[5]N[5])	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3)	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si){2|C<3>}	C[4,5](Ge[4,5]N[4]N[5])(P[4]C[6a]2N[4])(PC[6a]2N)(N[5]N[5]){2|Si<4>,4|C<3>}	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3){1|Si<4>,2|P<4>}	78.8960	0.000	1	78.8960	0.000	1	78.8960	0.000	1	78.8960	0.000	1	78.8960	0.000	1	78.8960	0.000	1
857	478	643	0:SP2_SP2_SP3	Ge[4]	C[4]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	Ge[4]-3:C[6a]-3:C[4]-4:	C[4]-4:Ge[4]-3:H-1:H-1:	Ge[4]-3:C[6a]-3:C[6a]-3:	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)	C[4](C[4]C[6a]Ge[4]H)(Ge[4]C[6a]Ge[4])(H)2	C[6a](Ge[4]Ge[4]C[4])(C[6a]C[6a]C)2	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH){1|H<1>,2|C<4>,5|C<3>}	C[4](C[4]C[6a]Ge[4]H)(Ge[4]C[6a]Ge[4])(H)2{5|C<3>}	C[6a](Ge[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,4|H<1>}	117.6460	0.000	1	117.6460	0.000	1	117.6460	0.000	1	117.6460	0.000	1	118.2450	0.718	2	118.2450	0.718	2
857	478	643	0:SP2_SP2_SP3	Ge[4]	C[4]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[4]-4:Ge[4]-3:C[6a]-3:	Ge[4]-3:C[4]-4:C[6a]-3:H-1:	Ge[4]-3:C[6a]-3:C[6a]-3:	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2)	C[4](Ge[4]C[6a]Ge[4])(C[4]Ge[4]HH)(C[6a]C[6a]2)(H)	C[6a](Ge[4]Ge[4]C[4])(C[6a]C[6a]C)2	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[4](Ge[4]C[6a]Ge[4])(C[4]Ge[4]HH)(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](Ge[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	118.2450	0.718	2	118.2450	0.718	2
857	478	857	4:SP2_SP2_SP3	Ge[4]	C[4]	Ge[4]	3:3:4:	4:3:1:1:	4:3:3:	Ge[4]-3:C[6a]-3:C[4]-4:	C[4]-4:Ge[4]-3:H-1:H-1:	C[4]-4:Ge[4]-3:C[6a]-3:	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)	C[4](C[4]C[6a]Ge[4]H)(Ge[4]C[6a]Ge[4])(H)2	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2)	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH){1|H<1>,2|C<4>,5|C<3>}	C[4](C[4]C[6a]Ge[4]H)(Ge[4]C[6a]Ge[4])(H)2{5|C<3>}	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	77.3980	0.000	1	77.3980	0.000	1	77.3980	0.000	1	77.3980	0.000	1	77.8230	0.361	2	77.8230	0.361	2
857	478	857	4:SP2_SP2_SP3	Ge[4]	C[4]	Ge[4]	4:3:3:	3:4:3:1:	3:3:4:	C[4]-4:Ge[4]-3:C[6a]-3:	Ge[4]-3:C[4]-4:C[6a]-3:H-1:	Ge[4]-3:C[6a]-3:C[4]-4:	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2)	C[4](Ge[4]C[6a]Ge[4])(C[4]Ge[4]HH)(C[6a]C[6a]2)(H)	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[4](Ge[4]C[6a]Ge[4])(C[4]Ge[4]HH)(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH){1|H<1>,2|C<4>,5|C<3>}	78.2480	0.000	1	78.2480	0.000	1	78.2480	0.000	1	78.2480	0.000	1	77.8230	0.361	2	77.8230	0.361	2
857	622	897	6:SP2_SP2_SP3	Ge[4,6]	O[6]	O[4,6]	3:3:2:	3:3:	3:3:4:	O[4,6]-3:O[4,6]-3:O[6]-2:	C[6,6a]-3:Ge[4,6]-3:	Ge[4,6]-3:Ge[4,6]-3:C[6]-4:	Ge[4,6](O[4,6]Ge[4,6]C[6])2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2)	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH)	Ge[4,6](O[4,6]Ge[4,6]C[6])2(O[6]C[6,6a]){1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ge[4,6]O[4,6]2){1|Ge<3>,1|H<1>,2|C<3>,2|C<4>}	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH){1|C<4>,3|C<3>}	93.0591	1.554	4	93.0591	2.416	4	93.0591	2.416	4	93.0591	2.416	4	93.0591	2.416	4	93.0591	2.416	4
857	634	938	5:SP2_SP2_SP3	Ge[4,4x5,6]	Ge[3,3,4,4x5]	Ge[3,4x5,6]	4:3:2:	4:4:3:3:	4:3:3:	Ge[3,3,4,4x5]-4:Ge[3,4x5,6]-3:Ge[4,5,6]-2:	Ge[3x3,4,5,6]-4:Ge[3,4,4,3x5,6]-4:Ge[3,3,5,5]-3:Ge[4,4x5,6]-3:	Ge[3,3,4,3x5,6]-4:Ge[3,4,3x5]-3:Ge[4,4x5,6]-3:	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	Ge[4,4x5,6](Ge[3,3,4,4x5]Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5])(Ge[3,4x5,6]Ge[3,3,4,3x5,6]Ge[3,4,3x5])(Ge[4,5,6]Ge[3,4,4,3x5,6])	Ge[3,3,4,4x5](Ge[3x3,4,5,6]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6]Ge[3,3,5,5])(Ge[3,4,4,3x5,6]Ge[3x3,4,5,6]Ge[3,4,3x5]Ge[4,5,6])(Ge[3,3,5,5]Ge[3,3,4,3x5,6]Ge[3x3,4,5,6])(Ge[4,4x5,6]Ge[3,4x5,6]Ge[4,5,6])	Ge[3,4x5,6](Ge[3,3,4,3x5,6]Ge[3x3,4,5,6]Ge[3,3,5,5]Ge[3,4,3x5])(Ge[3,4,3x5]Ge[3,3,4,3x5,6]Ge[3,4,4,3x5,6])(Ge[4,4x5,6]Ge[3,3,4,4x5]Ge[4,5,6])	103.2180	0.000	1	103.2180	0.000	1	103.2180	0.000	1	103.2180	0.000	1	103.2180	0.000	1	103.2180	0.000	1
857	643	857	0:SP2_SP2_SP2	Ge[4]	C[6a]	Ge[4]	3:3:4:	3:3:3:	4:3:3:	Ge[4]-3:C[6a]-3:C[4]-4:	Ge[4]-3:C[6a]-3:C[6a]-3:	C[4]-4:Ge[4]-3:C[6a]-3:	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](Ge[4]Ge[4]C[4])(C[6a]C[6a]C)2	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2)	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH){1|H<1>,2|C<4>,5|C<3>}	C[6a](Ge[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,4|H<1>}	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	143.2680	0.000	1	143.2680	0.000	1	143.2680	0.000	1	143.2680	0.000	1	144.1020	1.391	2	144.1020	1.391	2
857	643	857	0:SP2_SP2_SP2	Ge[4]	C[6a]	Ge[4]	4:3:3:	3:3:3:	3:3:4:	C[4]-4:Ge[4]-3:C[6a]-3:	Ge[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-3:C[6a]-3:C[4]-4:	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2)	C[6a](Ge[4]Ge[4]C[4])(C[6a]C[6a]C)2	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH)	Ge[4](C[4]C[6a]C[4]H)(Ge[4]C[6a]C[4])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](Ge[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	Ge[4](Ge[4]C[6a]C[4])(C[6a]C[6a]2)(C[4]C[4]HH){1|H<1>,2|C<4>,5|C<3>}	144.9360	0.000	1	144.9360	0.000	1	144.9360	0.000	1	144.9360	0.000	1	144.1020	1.391	2	144.1020	1.391	2
857	643	980	0:SP2_SP2_SP3	Ge[4]	C[6a]	N[4]	4:4:3:	3:3:3:	3:3:1:1:	N[4]-4:N[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:Ge[4]-3:	Ge[4]-3:Ge[4]-3:H-1:H-1:	Ge[4](N[4]Ge[4]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(Ge[4]N[4]2)	N[4](Ge[4]C[6a]N[4])2(H)2	Ge[4](N[4]Ge[4]HH)2(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]2)2(Ge[4]N[4]2){1|Ge<3>,5|C<3>,6|H<1>}	N[4](Ge[4]C[6a]N[4])2(H)2{2|H<1>,4|C<3>}	98.6011	1.619	2	98.6011	2.620	2	98.6011	2.620	2	98.6011	2.620	2	98.6011	2.620	2	98.6011	2.620	2
857	846	907	4:SP2_SP2_SP3	Ge[4,5]	C[4]	Ge[4,5]	4:4:3:	3:4:2:	3:3:3:2:	Ge[4,5]-4:P[5]-4:C[4]-3:	Ge[4,5]-3:C[3x6]-4:P[4]-2:	C[5,6a]-3:Ge[4,5]-3:C[6a]-3:P[4]-2:	Ge[4,5](Ge[4,5]C[5,6a]C[6a]P[4])(P[5]C[5,6a]C[6a]2)(C[4]C[3x6]P[4])	C[4](Ge[4,5]Ge[4,5]P[5])(C[3x6]C[6,6]3)(P[4]Ge[4,5])	Ge[4,5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]C[4]P[5])(C[6a]C[6a]2)(P[4]C[4])	Ge[4,5](Ge[4,5]C[5,6a]C[6a]P[4])(P[5]C[5,6a]C[6a]2)(C[4]C[3x6]P[4]){3|C<4>,8|C<3>}	C[4](Ge[4,5]Ge[4,5]P[5])(C[3x6]C[6,6]3)(P[4]Ge[4,5]){3|C<4>,5|C<3>,6|H<1>}	Ge[4,5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]C[4]P[5])(C[6a]C[6a]2)(P[4]C[4]){1|C<4>,1|H<1>,8|C<3>}	75.9868	0.076	2	75.9868	0.006	2	75.9868	0.006	2	75.9868	0.006	2	75.9868	0.006	2	75.9868	0.006	2
857	846	955	0:SP2_SP2_SP3	Ge[4,5]	C[4]	P[5]	4:4:3:	3:4:2:	3:3:3:3:	Ge[4,5]-4:P[5]-4:C[4]-3:	Ge[4,5]-3:C[3x6]-4:P[4]-2:	C[5,6a]-3:Ge[4,5]-3:C[6a]-3:C[6a]-3:	Ge[4,5](Ge[4,5]C[5,6a]C[6a]P[4])(P[5]C[5,6a]C[6a]2)(C[4]C[3x6]P[4])	C[4](Ge[4,5]Ge[4,5]P[5])(C[3x6]C[6,6]3)(P[4]Ge[4,5])	P[5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]Ge[4,5]C[4])(C[6a]C[6a]2)2	Ge[4,5](Ge[4,5]C[5,6a]C[6a]P[4])(P[5]C[5,6a]C[6a]2)(C[4]C[3x6]P[4]){3|C<4>,8|C<3>}	C[4](Ge[4,5]Ge[4,5]P[5])(C[3x6]C[6,6]3)(P[4]Ge[4,5]){3|C<4>,5|C<3>,6|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]Ge[4,5]C[4])(C[6a]C[6a]2)2{1|C<4>,1|P<2>,5|H<1>,7|C<3>}	91.5742	0.372	2	91.5742	0.138	2	91.5742	0.138	2	91.5742	0.138	2	91.5742	0.138	2	91.5742	0.138	2
857	857	857	4:SP2_SP2_SP2	Ge[3x4,6x6]	Ge[3x4,6x6]	Ge[3x4,6x6]	3:3:4:	3:3:4:	3:3:4:	Ge[3x4,6x6]-3:Ge[3x4,6x6]-3:Ge[4x4,12x6]-4:	Ge[3x4,6x6]-3:Ge[3x4,6x6]-3:Ge[4x4,12x6]-4:	Ge[3x4,6x6]-3:Ge[3x4,6x6]-3:Ge[4x4,12x6]-4:	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3)	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3)	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3)	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3){2|Ge<3>}	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3){2|Ge<3>}	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3){2|Ge<3>}	66.4205	0.522	7	66.4205	0.273	7	66.4205	0.273	7	66.4205	0.273	7	66.4205	0.273	7	66.4205	0.273	7
857	857	907	6:SP2_SP2_SP3	Ge[3x4,6x6]	Ge[3x4,6x6]	Ge[4x4,12x6]	3:3:4:	3:3:4:	3:3:3:3:	Ge[3x4,6x6]-3:Ge[3x4,6x6]-3:Ge[4x4,12x6]-4:	Ge[3x4,6x6]-3:Ge[3x4,6x6]-3:Ge[4x4,12x6]-4:	Ge[3x4,6x6]-3:Ge[3x4,6x6]-3:Ge[3x4,6x6]-3:Ge[3x4,6x6]-3:	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3)	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3)	Ge[4x4,12x6](Ge[3x4,6x6]Ge[3x4,6x6]2)4	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3){2|Ge<3>}	Ge[3x4,6x6](Ge[3x4,6x6]Ge[4x4,12x6]Ge[3x4,6x6])2(Ge[4x4,12x6]Ge[3x4,6x6]3){2|Ge<3>}	Ge[4x4,12x6](Ge[3x4,6x6]Ge[3x4,6x6]2)4{1|Ge<4>}	110.2285	0.642	15	110.2285	0.413	15	110.2285	0.413	15	110.2285	0.413	15	110.2285	0.413	15	110.2285	0.413	15
857	897	897	6:SP2_SP3_SP3	Ge[4,6]	O[4,6]	O[4,6]	3:3:2:	3:3:4:	3:3:4:	O[4,6]-3:O[4,6]-3:O[6]-2:	Ge[4,6]-3:Ge[4,6]-3:C[6]-4:	Ge[4,6]-3:Ge[4,6]-3:C[6]-4:	Ge[4,6](O[4,6]Ge[4,6]C[6])2(O[6]C[6,6a])	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH)	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH)	Ge[4,6](O[4,6]Ge[4,6]C[6])2(O[6]C[6,6a]){1|O<2>,3|C<3>,4|H<1>}	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH){1|C<4>,3|C<3>}	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH){1|C<4>,3|C<3>}	75.8366	0.573	2	75.8366	0.329	2	75.8366	0.329	2	75.8366	0.329	2	75.8366	0.329	2	75.8366	0.329	2
857	907	955	5:SP2_SP3_SP3	Ge[4,5]	Ge[4,5]	P[5]	4:4:3:	3:3:3:2:	3:3:3:3:	Ge[4,5]-4:P[5]-4:C[4]-3:	C[5,6a]-3:Ge[4,5]-3:C[6a]-3:P[4]-2:	C[5,6a]-3:Ge[4,5]-3:C[6a]-3:C[6a]-3:	Ge[4,5](Ge[4,5]C[5,6a]C[6a]P[4])(P[5]C[5,6a]C[6a]2)(C[4]C[3x6]P[4])	Ge[4,5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]C[4]P[5])(C[6a]C[6a]2)(P[4]C[4])	P[5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]Ge[4,5]C[4])(C[6a]C[6a]2)2	Ge[4,5](Ge[4,5]C[5,6a]C[6a]P[4])(P[5]C[5,6a]C[6a]2)(C[4]C[3x6]P[4]){3|C<4>,8|C<3>}	Ge[4,5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]C[4]P[5])(C[6a]C[6a]2)(P[4]C[4]){1|C<4>,1|H<1>,8|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]Ge[4,5]C[4])(C[6a]C[6a]2)2{1|C<4>,1|P<2>,5|H<1>,7|C<3>}	81.0720	0.400	2	81.0720	0.160	2	81.0720	0.160	2	81.0720	0.160	2	81.0720	0.160	2	81.0720	0.160	2
857	907	956	0:SP2_SP2_SP3	Ge[4]	Ge[4,4]	N	4:2:3:	4:3:2:3:	3:3:4:	Ge[4,4]-4:Ge[4]-2:N-3:	Ge[4,4]-4:Ge[4]-3:Ge[4]-2:N-3:	Ge[4]-3:C[6a]-3:Si-4:	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si)	Ge[4,4](Ge[4,4]Ge[4]2N)(Ge[4]Ge[4]N)(Ge[4]Ge[4])(NC[6a]Si)	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si){1|Ge<3>,1|N<3>}	Ge[4,4](Ge[4,4]Ge[4]2N)(Ge[4]Ge[4]N)(Ge[4]Ge[4])(NC[6a]Si){1|N<3>}	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	142.8260	0.000	1	142.8260	0.000	1	142.8260	0.000	1	142.8260	0.000	1	142.8260	0.000	1	142.8260	0.000	1
857	917	917	4:SP2_SP3_SP3	Ge[4]	P[4]	P[4]	4:4:3:	3:3:3:4:	3:3:3:4:	P[4]-4:P[4]-4:P-3:	C[6a]-3:Ge[4]-3:Ge[4]-3:C-4:	C[6a]-3:Ge[4]-3:Ge[4]-3:C-4:	Ge[4](P[4]C[6a]Ge[4]C)2(PC[6a]C)	P[4](C[6a]C[6a]2)(Ge[4]P[4]P)2(CSi2H)	P[4](C[6a]C[6a]2)(Ge[4]P[4]P)2(CSi2H)	Ge[4](P[4]C[6a]Ge[4]C)2(PC[6a]C){1|P<3>,4|C<3>}	P[4](C[6a]C[6a]2)(Ge[4]P[4]P)2(CSi2H){1|C<4>,2|H<1>,3|C<3>}	P[4](C[6a]C[6a]2)(Ge[4]P[4]P)2(CSi2H){1|C<4>,2|H<1>,3|C<3>}	80.5243	0.097	4	80.5243	0.009	4	80.5243	0.009	4	80.5243	0.009	4	80.5243	0.009	4	80.5243	0.009	4
857	917	945	0:SP2_SP3_SP3	Ge[4]	P[4]	P	4:4:3:	3:3:3:4:	3:3:4:	P[4]-4:P[4]-4:P-3:	C[6a]-3:Ge[4]-3:Ge[4]-3:C-4:	C[6a]-3:Ge[4]-3:C-4:	Ge[4](P[4]C[6a]Ge[4]C)2(PC[6a]C)	P[4](C[6a]C[6a]2)(Ge[4]P[4]P)2(CSi2H)	P(C[6a]C[6a]2)(Ge[4]P[4]2)(CSi2H)	Ge[4](P[4]C[6a]Ge[4]C)2(PC[6a]C){1|P<3>,4|C<3>}	P[4](C[6a]C[6a]2)(Ge[4]P[4]P)2(CSi2H){1|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(Ge[4]P[4]2)(CSi2H)	102.1722	4.267	8	102.1722	18.211	8	102.1722	18.211	8	102.1722	18.211	8	102.1722	18.211	8	102.1722	18.211	8
857	980	980	4:SP2_SP3_SP3	Ge[4,4]	N[4,4]	N[4,4]	4:4:3:	3:3:3:3:	3:3:3:3:	N[4,4]-4:N[4,4]-4:N[4]-3:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:B[4]-3:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:B[4]-3:	Ge[4,4](N[4,4]Ge[4,4]C[6a]B[4])2(N[4]C[6a]B[4])	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N)	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N)	Ge[4,4](N[4,4]Ge[4,4]C[6a]B[4])2(N[4]C[6a]B[4]){3|N<3>,6|C<3>}	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N){1|B<3>,2|C<4>,5|C<3>}	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N){1|B<3>,2|C<4>,5|C<3>}	89.8387	0.000	1	89.8387	0.000	1	89.8387	0.000	1	89.8387	0.000	1	89.8387	0.000	1	84.7951	50.877	2
857	980	980	4:SP2_SP3_SP3	Ge[4]	N[4]	N[4]	4:4:3:	3:3:1:1:	3:3:1:1:	N[4]-4:N[4]-4:C[6a]-3:	Ge[4]-3:Ge[4]-3:H-1:H-1:	Ge[4]-3:Ge[4]-3:H-1:H-1:	Ge[4](N[4]Ge[4]HH)2(C[6a]C[6a]2)	N[4](Ge[4]C[6a]N[4])2(H)2	N[4](Ge[4]C[6a]N[4])2(H)2	Ge[4](N[4]Ge[4]HH)2(C[6a]C[6a]2){5|C<3>}	N[4](Ge[4]C[6a]N[4])2(H)2{2|H<1>,4|C<3>}	N[4](Ge[4]C[6a]N[4])2(H)2{2|H<1>,4|C<3>}	79.7514	0.000	1	79.7514	0.000	1	79.7514	0.000	1	79.7514	0.000	1	79.7514	0.000	1	84.7951	50.877	2
857	996	996	4:SP2_SP3_SP3	Ge[3x4]	Si[4,4]	Si[4,4]	4:4:4:	3:3:3:3:	3:3:3:3:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Ge[3x4]-3:Ge[3x4]-3:C[6a]-3:C[6a]-3:	Ge[3x4]-3:Ge[3x4]-3:C[6a]-3:C[6a]-3:	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3{12|C<3>}	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	90.5511	0.479	6	90.5511	0.230	6	90.5511	0.230	6	90.5511	0.230	6	90.5511	0.230	6	90.5511	0.230	6
858	658	658	6:SP-NON_SP3_SP3	F[6]	Si[6]	Si[6]	4:4:	3:2:4:4:	3:2:4:4:	Si[6]-4:Si[6]-4:	C[6,6a]-3:F[6]-2:C-4:C-4:	C[6,6a]-3:F[6]-2:C-4:C-4:	F[6](Si[6]C[6,6a]CC)2	Si[6](C[6,6a]C[6,6a,6a]C[6a])(F[6]Si[6])(CH3)2	Si[6](C[6,6a]C[6,6a,6a]C[6a])(F[6]Si[6])(CH3)2	F[6](Si[6]C[6,6a]CC)2{3|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(F[6]Si[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(F[6]Si[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	129.9230	0.000	1	129.9230	0.000	1	129.9230	0.000	1	129.9230	0.000	1	129.9230	0.000	1	129.9230	0.000	1
859	74	74	4:SP1_SP2_SP2	Si[4]	N[4]	N[4]	3:3:	3:2:2:	3:2:2:	N[4]-3:N[4]-3:	C[6a]-3:Si[4]-2:Si[4]-2:	C[6a]-3:Si[4]-2:Si[4]-2:	Si[4](N[4]C[6a]Si[4])2	N[4](C[6a]C[6a]2)(Si[4]N[4])2	N[4](C[6a]C[6a]2)(Si[4]N[4])2	Si[4](N[4]C[6a]Si[4])2{4|C<3>}	N[4](C[6a]C[6a]2)(Si[4]N[4])2{2|H<1>,3|C<3>}	N[4](C[6a]C[6a]2)(Si[4]N[4])2{2|H<1>,3|C<3>}	83.2698	0.000	1	83.2698	0.000	1	83.2698	0.000	1	83.2698	0.000	1	83.2698	0.000	1	83.2698	0.000	1
859	598	598	4:SP1_SP2_SP2	Si[4,4]	Si[3x4]	Si[3x4]	3:3:	2:2:2:	2:2:2:	Si[3x4]-3:Si[3x4]-3:	Si[4,4]-2:Si[4,4]-2:Si[4,4]-2:	Si[4,4]-2:Si[4,4]-2:Si[4,4]-2:	Si[4,4](Si[3x4]Si[4,4]2)2	Si[3x4](Si[4,4]Si[3x4])3	Si[3x4](Si[4,4]Si[3x4])3	Si[4,4](Si[3x4]Si[4,4]2)2	Si[3x4](Si[4,4]Si[3x4])3	Si[3x4](Si[4,4]Si[3x4])3	102.6818	2.865	3	102.6818	8.209	3	102.6818	8.209	3	102.6818	8.209	3	102.6818	8.209	3	102.6818	8.209	3
859	598	598	6:SP1_SP2_SP2	Si[4,6]	Si[4,5,5,6,6]	Si[4,5,5,6,6]	3:3:	4:2:2:	4:2:2:	Si[4,5,5,6,6]-3:Si[4,5,5,6,6]-3:	Si[4,4,4x5,6]-4:Si[5,5,6,6]-2:Si[4,6]-2:	Si[4,4,4x5,6]-4:Si[5,5,6,6]-2:Si[4,6]-2:	Si[4,6](Si[4,5,5,6,6]Si[4,4,4x5,6]Si[5,5,6,6])2	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6])	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6])	Si[4,6](Si[4,5,5,6,6]Si[4,4,4x5,6]Si[5,5,6,6])2{1|Si<4>,2|Si<2>}	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6]){1|Si<2>}	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6]){1|Si<2>}	64.7375	0.000	1	64.7375	0.000	1	64.7375	0.000	1	64.7375	0.000	1	64.7375	0.000	1	64.7375	0.000	1
859	996	996	4:SP1_SP3_SP3	Si[4]	Si[4,5]	Si[4,5]	4:4:	2:2:4:4:	2:2:4:4:	Si[4,5]-4:Si[4,5]-4:	Si[4]-2:Si[4]-2:C[5]-4:C[5]-4:	Si[4]-2:Si[4]-2:C[5]-4:C[5]-4:	Si[4](Si[4,5]Si[4]C[5]2)2	Si[4,5](Si[4]Si[4,5])2(C[5]C[5]Si2)2	Si[4,5](Si[4]Si[4,5])2(C[5]C[5]Si2)2	Si[4](Si[4,5]Si[4]C[5]2)2{8|Si<4>,4|C<4>}	Si[4,5](Si[4]Si[4,5])2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	Si[4,5](Si[4]Si[4,5])2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	114.4250	0.000	1	114.4250	0.000	1	114.4250	0.000	1	114.4250	0.000	1	114.4250	0.000	1	114.4250	0.000	1
859	996	996	5:SP1_SP3_SP3	Si[4,5,5]	Si[4,4x5,6,6]	Si[4,4,4x5,6]	4:4:	2:2:2:2:	3:3:2:2:	Si[4,4,4x5,6]-4:Si[4,4x5,6,6]-4:	Si[5,5,6,6]-2:Si[5,5,6,6]-2:Si[4,5,5]-2:Si[4,5,5]-2:	Si[4,5,5,6,6]-3:Si[4,5,5,6,6]-3:Si[4,5,5]-2:Si[4,5,5]-2:	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5])	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2	Si[4,4,4x5,6](Si[4,5,5,6,6]Si[5,5,6,6]Si[4,6])2(Si[4,5,5]Si[4,4x5,6,6])2	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5]){1|Si<2>}	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2{1|Si<2>}	Si[4,4,4x5,6](Si[4,5,5,6,6]Si[5,5,6,6]Si[4,6])2(Si[4,5,5]Si[4,4x5,6,6])2	107.4765	0.484	2	107.4765	0.235	2	107.4765	0.235	2	107.4765	0.235	2	107.4765	0.235	2	107.4765	0.235	2
859	996	996	6:SP1_SP3_SP3	Si[4,4x6]	Si[4,4,8x6]	Si[4,4,8x6]	4:4:	2:2:2:2:	2:2:2:2:	Si[4,4,8x6]-4:Si[4,4,8x6]-4:	Si[4,4x6]-2:Si[4,4x6]-2:Si[4,4x6]-2:Si[4,4x6]-2:	Si[4,4x6]-2:Si[4,4x6]-2:Si[4,4x6]-2:Si[4,4x6]-2:	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2	Si[4,4,8x6](Si[4,4x6]Si[4,4,8x6])4	Si[4,4,8x6](Si[4,4x6]Si[4,4,8x6])4	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2{1|Si<4>}	Si[4,4,8x6](Si[4,4x6]Si[4,4,8x6])4{2|Si<2>}	Si[4,4,8x6](Si[4,4x6]Si[4,4,8x6])4{2|Si<2>}	91.8545	14.826	4	91.8545	219.824	4	91.8545	219.824	4	91.8545	219.824	4	91.8545	219.824	4	91.8545	219.824	4
860	863	863	0:SP-NON_SP2_SP2	Cl[3]	O	O	2:2:1:1:	4:	4:	O[3]-2:O[3]-2:O-1:O-1:	Cl[3]-4:	Cl[3]-4:	Cl[3](O[3]O[3])2(O)2	O(Cl[3]O[3]2O)	O(Cl[3]O[3]2O)	Cl[3](O[3]O[3])2(O)2	O(Cl[3]O[3]2O)	O(Cl[3]O[3]2O)	118.9550	5.786	2	118.9550	33.473	2	118.9550	33.473	2	118.9550	33.473	2	118.9550	33.473	2	118.9550	33.473	2
860	863	962	0:SP-NON_SP2_SP3	Cl[3]	O	O[3]	2:2:1:1:	4:	4:2:	O[3]-2:O[3]-2:O-1:O-1:	Cl[3]-4:	Cl[3]-4:O[3]-2:	Cl[3](O[3]O[3])2(O)2	O(Cl[3]O[3]2O)	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)2	O(Cl[3]O[3]2O)	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	114.0665	8.162	6	114.0665	66.619	6	114.0665	66.619	6	114.0665	66.619	6	114.0665	66.619	6	114.0665	66.619	6
860	962	962	3:SP-NON_SP3_SP3	Cl[3]	O[3]	O[3]	2:2:1:1:	4:2:	4:2:	O[3]-2:O[3]-2:O-1:O-1:	Cl[3]-4:O[3]-2:	Cl[3]-4:O[3]-2:	Cl[3](O[3]O[3])2(O)2	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)2	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	73.1846	8.793	2	73.1846	77.308	2	73.1846	77.308	2	73.1846	77.308	2	73.1846	77.308	2	73.1846	77.308	2
861	474	474	0:SP3_SP3_SP3	Se	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	Se(C[5]C[5]2H)2(Br)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	Se(C[5]C[5]2H)2(Br)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	101.0300	0.000	1	101.0300	0.000	1	101.0300	0.000	1	101.5655	0.574	2	101.5655	0.574	2	101.5655	0.574	2
861	474	474	0:SP3_SP3_SP3	Se	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:Se-4:H-1:	Se(C[5]C[5]2H)2(Cl)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	Se(C[5]C[5]2H)2(Cl)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	102.1010	0.000	1	102.1010	0.000	1	102.1010	0.000	1	101.5655	0.574	2	101.5655	0.574	2	101.5655	0.574	2
861	474	643	0:SP3_SP2_SP3	Se	C[5]	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:Se-4:H-1:	C[6a]-3:C[6a]-3:Se-4:	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(SeC[5]OO)	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(SeC[5]OO){1|C<3>,2|H<1>}	104.2920	0.000	1	104.2920	0.000	1	104.2920	0.000	1	104.2920	0.000	1	104.2920	0.000	1	104.2920	0.000	1
861	474	790	0:SP3_SP-NON_SP3	Se	C[5]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:C[5]-4:Se-4:H-1:	Se-4:	Se(C[5]C[5]2H)2(Cl)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	Cl(SeC[5]2Cl)	Se(C[5]C[5]2H)2(Cl)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	Cl(SeC[5]2Cl)	91.1440	0.486	2	91.1440	0.236	2	91.1440	0.236	2	91.1440	0.236	2	91.1440	0.236	2	91.1440	0.236	2
861	474	863	0:SP3_SP2_SP3	Se	C[5]	O	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-1:O-1:	C[5]-4:C[5]-4:Se-4:H-1:	Se-4:	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	O(SeC[6a]C[5]O)	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	O(SeC[6a]C[5]O)	108.2290	2.845	2	108.2290	8.096	2	108.2290	8.096	2	108.2290	8.096	2	108.2290	8.096	2	108.2290	8.096	2
861	474	924	0:SP3_SP-NON_SP3	Se	C[5]	Br	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:C[5]-4:Se-4:H-1:	Se-4:	Se(C[5]C[5]2H)2(Br)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	Br(SeC[5]2Br)	Se(C[5]C[5]2H)2(Br)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	Br(SeC[5]2Br)	92.2322	0.769	2	92.2322	0.591	2	92.2322	0.591	2	92.2322	0.591	2	92.2322	0.591	2	92.2322	0.591	2
861	490	490	0:SP3_SP3_SP3	Se	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-1:O-1:	Se-4:H-1:H-1:H-1:	Se-4:H-1:H-1:H-1:	Se(CH3)2(O)2	C(SeCOO)(H)3	C(SeCOO)(H)3	Se(CH3)2(O)2	C(SeCOO)(H)3	C(SeCOO)(H)3	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1
861	490	643	0:SP3_SP2_SP3	Se	C	C[6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:O-1:O-1:	Se-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Se-4:	Se(C[6a]C[6a]2)(CCHH)(O)2	C(SeC[6a]OO)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(SeCOO)	Se(C[6a]C[6a]2)(CCHH)(O)2	C(SeC[6a]OO)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(SeCOO){1|C<3>,2|H<1>}	107.3735	1.737	8	107.3735	3.017	8	107.3735	3.017	8	107.3735	3.017	8	107.3735	3.017	8	107.3735	3.017	8
861	490	863	0:SP3_SP2_SP3	Se	C	O	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-1:O-1:	Se-4:C-4:H-1:H-1:	Se-4:	Se(C[6a]C[6a]2)(CCHH)(O)2	C(SeC[6a]OO)(CC[5]HH)(H)2	O(SeC[6a]CO)	Se(C[6a]C[6a]2)(CCHH)(O)2	C(SeC[6a]OO)(CC[5]HH)(H)2	O(SeC[6a]CO)	108.8841	1.251	16	108.8841	1.565	16	108.8841	1.565	16	108.8841	1.565	16	108.8481	1.409	18	108.8481	1.409	18
861	490	863	0:SP3_SP2_SP3	Se	C	O	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:O-1:O-1:	Se-4:H-1:H-1:H-1:	Se-4:	Se(CH3)2(O)2	C(SeCOO)(H)3	O(SeCCO)	Se(CH3)2(O)2	C(SeCOO)(H)3	O(SeCCO)	108.5600	0.537	2	108.5600	0.289	2	108.5600	0.289	2	108.5600	0.289	2	108.8481	1.409	18	108.8481	1.409	18
861	643	643	0:SP3_SP2_SP2	Se	C[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:Se-4:	C[6a]-3:C[6a]-3:Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO)	C[6a](C[6a]C[6a]H)2(SeC[6a]OO)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(SeC[6a]OO){1|C<3>,2|H<1>}	106.1690	0.000	1	106.1690	0.000	1	106.1690	0.000	1	106.1690	0.000	1	107.4112	23.473	5	107.4112	23.473	5
861	643	643	0:SP3_SP2_SP2	Se	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a]-3:C[6a]-3:Se-4:	C[6a]-3:C[6a]-3:Se-4:	Se(C[6a]C[6a]2)2(F)2	C[6a](C[6a]C[6a]C)2(SeC[6a]FF)	C[6a](C[6a]C[6a]C)2(SeC[6a]FF)	Se(C[6a]C[6a]2)2(F)2	C[6a](C[6a]C[6a]C)2(SeC[6a]FF){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(SeC[6a]FF){1|C<3>,2|H<1>}	112.3260	2.362	2	112.3260	5.578	2	112.3260	5.578	2	112.3260	5.578	2	107.4112	23.473	5	107.4112	23.473	5
861	643	643	0:SP3_SP2_SP2	Se	C[6a]	C[6a]	3:3:1:1:	3:4:2:	3:3:4:	C[6a]-3:C[6a]-3:Br-1:Br-1:	C[6a]-3:Se-4:N[6a]-2:	C[6a]-3:C[6a]-3:Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(SeC[6a]Br2)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(SeC[6a]Br2){1|C<3>,2|H<1>}	102.2260	0.000	1	102.2260	0.000	1	102.2260	0.000	1	103.1175	1.590	2	107.4112	23.473	5	107.4112	23.473	5
861	643	643	0:SP3_SP2_SP2	Se	C[6a]	C[6a]	3:3:1:1:	3:4:2:	3:3:4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:Se-4:N[6a]-2:	C[6a]-3:C[6a]-3:Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(SeC[6a]Cl2)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a]){1|Se<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(SeC[6a]Cl2){1|C<3>,2|H<1>}	104.0090	0.000	1	104.0090	0.000	1	104.0090	0.000	1	103.1175	1.590	2	107.4112	23.473	5	107.4112	23.473	5
861	643	727	0:SP3_SP2_SP2	Se	C[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:Se-4:	C[5a]-3:C[5a]-3:Se-4:	Se(C[5a]C[5a]2)(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SeC[5a]OO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(SeC[6a]OO)	Se(C[5a]C[5a]2)(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SeC[5a]OO){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(SeC[6a]OO){1|H<1>}	106.4470	0.000	1	106.4470	0.000	1	106.4470	0.000	1	106.4470	0.000	1	106.4470	0.000	1	106.4470	0.000	1
861	643	790	0:SP3_SP-NON_SP2	Se	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:Se-4:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(SeC[6a]Cl2)	Cl(SeC[6a]2Cl)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(SeC[6a]Cl2){1|C<3>,2|H<1>}	Cl(SeC[6a]2Cl)	92.4736	0.942	2	92.4736	0.888	2	92.4736	0.888	2	92.4736	0.888	2	89.8985	9.191	4	89.8985	9.191	4
861	643	790	0:SP3_SP-NON_SP2	Se	C[6a]	Cl	3:3:1:1:	3:4:2:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:Se-4:N[6a]-2:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a])	Cl(SeC[6a]2Cl)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a]){1|Se<3>,1|C<3>,1|H<1>}	Cl(SeC[6a]2Cl)	87.3234	0.399	2	87.3234	0.159	2	87.3234	0.159	2	87.3234	0.159	2	89.8985	9.191	4	89.8985	9.191	4
861	643	830	0:SP3_SP-NON_SP2	Se	C[6a]	F	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	C[6a]-3:C[6a]-3:Se-4:	Se-4:	Se(C[6a]C[6a]2)2(F)2	C[6a](C[6a]C[6a]C)2(SeC[6a]FF)	F(SeC[6a]2F)	Se(C[6a]C[6a]2)2(F)2	C[6a](C[6a]C[6a]C)2(SeC[6a]FF){1|C<3>,2|H<1>}	F(SeC[6a]2F)	88.2087	1.041	8	88.2087	1.084	8	88.2087	1.084	8	88.2087	1.084	8	88.2087	1.084	8	88.2087	1.084	8
861	643	863	0:SP3_SP2_SP2	Se	C[6a]	O	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:Se-4:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO)	O(SeC[6a]2O)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO){1|C<3>,2|H<1>}	O(SeC[6a]2O)	108.3000	2.946	2	108.3000	8.678	2	108.3000	8.678	2	108.3000	8.678	2	108.1967	1.444	24	108.1967	1.444	24
861	643	863	0:SP3_SP2_SP2	Se	C[6a]	O	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:Se-4:	Se-4:	Se(C[5a]C[5a]2)(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SeC[5a]OO)	O(SeC[5a]C[6a]O)	Se(C[5a]C[5a]2)(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SeC[5a]OO){1|C<3>,2|H<1>}	O(SeC[5a]C[6a]O)	108.8615	0.022	2	108.8615	0.000	2	108.8615	0.000	2	108.4123	1.182	4	108.1967	1.444	24	108.1967	1.444	24
861	643	863	0:SP3_SP2_SP2	Se	C[6a]	O	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:Se-4:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SeC[6a]OO)	O(SeC[6a]2O)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(SeC[6a]OO){1|C<3>,2|H<1>}	O(SeC[6a]2O)	107.9630	1.655	2	107.9630	2.738	2	107.9630	2.738	2	108.4123	1.182	4	108.1967	1.444	24	108.1967	1.444	24
861	643	863	0:SP3_SP2_SP2	Se	C[6a]	O	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:O-1:O-1:	C[6a]-3:C[6a]-3:Se-4:	Se-4:	Se(C[6a]C[6a]2)(CCHH)(O)2	C[6a](C[6a]C[6a]H)2(SeCOO)	O(SeC[6a]CO)	Se(C[6a]C[6a]2)(CCHH)(O)2	C[6a](C[6a]C[6a]H)2(SeCOO){1|C<3>,2|H<1>}	O(SeC[6a]CO)	108.1118	1.113	16	108.1118	1.239	16	108.1118	1.239	16	108.1373	1.218	18	108.1967	1.444	24	108.1967	1.444	24
861	643	863	0:SP3_SP2_SP2	Se	C[6a]	O	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-1:O-1:	C[6a]-3:C[6a]-3:Se-4:	Se-4:	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[6a](C[6a]C[6a]H)2(SeC[5]OO)	O(SeC[6a]C[5]O)	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[6a](C[6a]C[6a]H)2(SeC[5]OO){1|C<3>,2|H<1>}	O(SeC[6a]C[5]O)	108.3415	1.425	2	108.3415	2.030	2	108.3415	2.030	2	108.1373	1.218	18	108.1967	1.444	24	108.1967	1.444	24
861	643	924	0:SP3_SP-NON_SP2	Se	C[6a]	Br	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:Se-4:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)2(SeC[6a]Br2)	Br(SeC[6a]2Br)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)2(SeC[6a]Br2){1|C<3>,2|H<1>}	Br(SeC[6a]2Br)	91.8991	1.054	2	91.8991	1.111	2	91.8991	1.111	2	91.8991	1.111	2	91.4665	1.833	4	91.4665	1.833	4
861	643	924	0:SP3_SP-NON_SP2	Se	C[6a]	Br	3:3:1:1:	3:4:2:	4:	C[6a]-3:C[6a]-3:Br-1:Br-1:	C[6a]-3:Se-4:N[6a]-2:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a])	Br(SeC[6a]2Br)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a]){1|Se<2>,1|C<3>,1|H<1>}	Br(SeC[6a]2Br)	91.0339	1.908	2	91.0339	3.639	2	91.0339	3.639	2	91.0339	3.639	2	91.4665	1.833	4	91.4665	1.833	4
861	727	863	0:SP3_SP2_SP2	Se	C[5a]	O	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-1:O-1:	C[5a]-3:C[5a]-3:Se-4:	Se-4:	Se(C[5a]C[5a]2)(C[6a]C[6a]2)(O)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(SeC[6a]OO)	O(SeC[5a]C[6a]O)	Se(C[5a]C[5a]2)(C[6a]C[6a]2)(O)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(SeC[6a]OO){1|H<1>}	O(SeC[5a]C[6a]O)	108.5010	7.444	2	108.5010	55.419	2	108.5010	55.419	2	108.5010	55.419	2	108.5010	55.419	2	108.5010	55.419	2
861	790	790	0:SP3_SP-NON_SP-NON	Se	Cl	Cl	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	Se-4:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	Cl(SeC[6a]2Cl)	Cl(SeC[6a]2Cl)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	Cl(SeC[6a]2Cl)	Cl(SeC[6a]2Cl)	173.4550	0.000	1	173.4550	0.000	1	173.4550	0.000	1	173.4550	0.000	1	174.9075	4.220	2	174.9075	4.220	2
861	790	790	0:SP3_SP-NON_SP-NON	Se	Cl	Cl	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Cl-1:Cl-1:	Se-4:	Se-4:	Se(C[5]C[5]2H)2(Cl)2	Cl(SeC[5]2Cl)	Cl(SeC[5]2Cl)	Se(C[5]C[5]2H)2(Cl)2	Cl(SeC[5]2Cl)	Cl(SeC[5]2Cl)	176.3600	0.000	1	176.3600	0.000	1	176.3600	0.000	1	176.3600	0.000	1	174.9075	4.220	2	174.9075	4.220	2
861	830	830	0:SP3_SP-NON_SP-NON	Se	F	F	2:2:1:1:	4:	4:	C-2:C-2:F-1:F-1:	Se-4:	Se-4:	Se(CN)2(F)2	F(SeCCF)	F(SeCCF)	Se(CN)2(F)2	F(SeCCF)	F(SeCCF)	164.4570	3.635	5	164.4570	13.212	5	164.4570	13.212	5	164.4570	13.212	5	167.0543	28.597	7	167.0543	28.597	7
861	830	830	0:SP3_SP-NON_SP-NON	Se	F	F	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:F-1:F-1:	Se-4:	Se-4:	Se(C[6a]C[6a]2)2(F)2	F(SeC[6a]2F)	F(SeC[6a]2F)	Se(C[6a]C[6a]2)2(F)2	F(SeC[6a]2F)	F(SeC[6a]2F)	173.5475	0.825	2	173.5475	0.681	2	173.5475	0.681	2	173.5475	0.681	2	167.0543	28.597	7	167.0543	28.597	7
861	830	983	0:SP3_SP-NON_SP1	Se	F	C	2:2:1:1:	4:	4:1:	C-2:C-2:F-1:F-1:	Se-4:	Se-4:N-1:	Se(CN)2(F)2	F(SeCCF)	C(SeCFF)(N)	Se(CN)2(F)2	F(SeCCF)	C(SeCFF)(N)	84.4849	1.647	16	84.4849	2.714	16	84.4849	2.714	16	84.4849	2.714	16	84.4849	2.714	16	84.4849	2.714	16
861	863	863	0:SP3_SP2_SP2	Se	O	O	1:1:1:1:	4:	4:	O-1:O-1:O-1:O-1:	Se-4:	Se-4:	Se(O)4	O(SeO3)	O(SeO3)	Se(O)4	O(SeO3)	O(SeO3)	109.4838	0.880	124	109.4838	0.774	124	109.4838	0.774	124	109.4838	0.774	124	110.6370	7.588	163	110.6370	7.588	163
861	863	863	0:SP3_SP2_SP2	Se	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Se-4:	Se-4:	Se(OH)(O)3	O(SeO3)	O(SeO3)	Se(OH)(O)3	O(SeO3)	O(SeO3)	112.5451	1.497	24	112.5451	2.242	24	112.5451	2.242	24	112.5451	2.242	24	110.6370	7.588	163	110.6370	7.588	163
861	863	863	0:SP3_SP2_SP2	Se	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	Se-4:	Se-4:	Se(OH)2(O)2	O(SeO3)	O(SeO3)	Se(OH)2(O)2	O(SeO3)	O(SeO3)	121.1790	0.000	1	121.1790	0.000	1	123.1110	22.371	3	123.1110	22.371	3	110.6370	7.588	163	110.6370	7.588	163
861	863	863	0:SP3_SP2_SP2	Se	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	Se-4:	Se-4:	Se(OSe)2(O)2	O(SeO3)	O(SeO3)	Se(OSe)2(O)2	O(SeO3)	O(SeO3)	124.0770	6.256	2	124.0770	39.144	2	123.1110	22.371	3	123.1110	22.371	3	110.6370	7.588	163	110.6370	7.588	163
861	863	863	0:SP3_SP2_SP2	Se	O	O	3:3:1:1:	4:	4:	C[5a]-3:C[6a]-3:O-1:O-1:	Se-4:	Se-4:	Se(C[5a]C[5a]2)(C[6a]C[6a]2)(O)2	O(SeC[5a]C[6a]O)	O(SeC[5a]C[6a]O)	Se(C[5a]C[5a]2)(C[6a]C[6a]2)(O)2	O(SeC[5a]C[6a]O)	O(SeC[5a]C[6a]O)	115.1950	0.000	1	115.1950	0.000	1	115.1950	0.000	1	116.4020	2.914	2	110.6370	7.588	163	110.6370	7.588	163
861	863	863	0:SP3_SP2_SP2	Se	O	O	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:O-1:O-1:	Se-4:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	O(SeC[6a]2O)	O(SeC[6a]2O)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	O(SeC[6a]2O)	O(SeC[6a]2O)	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1	116.4020	2.914	2	110.6370	7.588	163	110.6370	7.588	163
861	863	863	0:SP3_SP2_SP2	Se	O	O	3:4:1:1:	4:	4:	C[6a]-3:C-4:O-1:O-1:	Se-4:	Se-4:	Se(C[6a]C[6a]2)(CCHH)(O)2	O(SeC[6a]CO)	O(SeC[6a]CO)	Se(C[6a]C[6a]2)(CCHH)(O)2	O(SeC[6a]CO)	O(SeC[6a]CO)	115.1695	0.912	8	115.1695	0.832	8	115.1695	0.832	8	115.5417	1.975	9	110.6370	7.588	163	110.6370	7.588	163
861	863	863	0:SP3_SP2_SP2	Se	O	O	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:O-1:O-1:	Se-4:	Se-4:	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	O(SeC[6a]C[5]O)	O(SeC[6a]C[5]O)	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	O(SeC[6a]C[5]O)	O(SeC[6a]C[5]O)	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	115.5417	1.975	9	110.6370	7.588	163	110.6370	7.588	163
861	863	863	0:SP3_SP2_SP2	Se	O	O	4:4:1:1:	4:	4:	C-4:C-4:O-1:O-1:	Se-4:	Se-4:	Se(CH3)2(O)2	O(SeCCO)	O(SeCCO)	Se(CH3)2(O)2	O(SeCCO)	O(SeCCO)	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	110.6370	7.588	163	110.6370	7.588	163
861	863	893	0:SP3_SP2_SP2	Se	O	O	2:2:1:1:	4:	4:3:	O-2:O-2:O-1:O-1:	Se-4:	Se-4:Se-3:	Se(OSe)2(O)2	O(SeO3)	O(SeO3)(SeOO)	Se(OSe)2(O)2	O(SeO3)	O(SeO3)(SeOO)	107.7920	3.794	4	107.7920	14.397	4	107.7920	14.397	4	107.7920	14.397	4	107.7920	14.397	4	107.7920	14.397	4
861	863	893	0:SP3_SP2_SP3	Se	O	O	2:1:1:1:	4:	4:1:	O-2:O-1:O-1:O-1:	Se-4:	Se-4:H-1:	Se(OH)(O)3	O(SeO3)	O(SeO3)(H)	Se(OH)(O)3	O(SeO3)	O(SeO3)(H)	106.0739	2.285	21	106.0739	5.219	21	106.0739	5.219	21	106.0739	5.219	21	106.4051	5.687	32	106.4051	5.687	32
861	863	893	0:SP3_SP2_SP3	Se	O	O	2:1:1:1:	4:	4:2:	O-2:O-1:O-1:O-1:	Se-4:	Se-4:H-2:	Se(OH)(O)3	O(SeO3)	O(SeO3)(HH)	Se(OH)(O)3	O(SeO3)	O(SeO3)(HH)	106.8307	1.378	3	106.8307	1.898	3	106.8307	1.898	3	106.8307	1.898	3	106.4051	5.687	32	106.4051	5.687	32
861	863	893	0:SP3_SP2_SP3	Se	O	O	2:2:1:1:	4:	4:1:	O-2:O-2:O-1:O-1:	Se-4:	Se-4:H-1:	Se(OH)2(O)2	O(SeO3)	O(SeO3)(H)	Se(OH)2(O)2	O(SeO3)	O(SeO3)(H)	107.6803	1.437	4	107.6803	2.064	4	107.6803	2.064	4	107.6803	2.064	4	106.4051	5.687	32	106.4051	5.687	32
861	863	893	0:SP3_SP2_SP3	Se	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	Se-4:	Se-4:Se-4:	Se(OSe)2(O)2	O(SeO3)	O(SeO3)2	Se(OSe)2(O)2	O(SeO3)	O(SeO3)2	106.5498	4.184	4	106.5498	17.502	4	106.5498	17.502	4	106.5498	17.502	4	106.4051	5.687	32	106.4051	5.687	32
861	893	893	0:SP3_SP2_SP2	Se	O	O	2:2:1:1:	4:3:	4:3:	O-2:O-2:O-1:O-1:	Se-4:Se-3:	Se-4:Se-3:	Se(OSe)2(O)2	O(SeO3)(SeOO)	O(SeO3)(SeOO)	Se(OSe)2(O)2	O(SeO3)(SeOO)	O(SeO3)(SeOO)	105.2270	0.000	1	105.2270	0.000	1	105.2270	0.000	1	105.2270	0.000	1	105.2270	0.000	1	105.2270	0.000	1
861	893	893	0:SP3_SP3_SP3	Se	O	O	2:2:1:1:	4:1:	4:1:	O-2:O-2:O-1:O-1:	Se-4:H-1:	Se-4:H-1:	Se(OH)2(O)2	O(SeO3)(H)	O(SeO3)(H)	Se(OH)2(O)2	O(SeO3)(H)	O(SeO3)(H)	103.5700	0.000	1	103.5700	0.000	1	103.5700	0.000	1	103.5700	0.000	1	100.8931	14.331	2	100.8931	14.331	2
861	893	893	0:SP3_SP3_SP3	Se	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:O-1:O-1:	Se-4:Se-4:	Se-4:Se-4:	Se(OSe)2(O)2	O(SeO3)2	O(SeO3)2	Se(OSe)2(O)2	O(SeO3)2	O(SeO3)2	98.2163	0.000	1	98.2163	0.000	1	98.2163	0.000	1	98.2163	0.000	1	100.8931	14.331	2	100.8931	14.331	2
861	924	924	0:SP3_SP-NON_SP-NON	Se	Br	Br	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:Br-1:Br-1:	Se-4:	Se-4:	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	Br(SeC[6a]2Br)	Br(SeC[6a]2Br)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	Br(SeC[6a]2Br)	Br(SeC[6a]2Br)	175.1980	0.000	1	175.1980	0.000	1	175.1980	0.000	1	175.1980	0.000	1	174.0875	2.466	2	174.0875	2.466	2
861	924	924	0:SP3_SP-NON_SP-NON	Se	Br	Br	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:Br-1:	Se-4:	Se-4:	Se(C[5]C[5]2H)2(Br)2	Br(SeC[5]2Br)	Br(SeC[5]2Br)	Se(C[5]C[5]2H)2(Br)2	Br(SeC[5]2Br)	Br(SeC[5]2Br)	172.9770	0.000	1	172.9770	0.000	1	172.9770	0.000	1	172.9770	0.000	1	174.0875	2.466	2	174.0875	2.466	2
861	983	983	0:SP3_SP1_SP1	Se	C	C	2:2:1:1:	4:1:	4:1:	C-2:C-2:F-1:F-1:	Se-4:N-1:	Se-4:N-1:	Se(CN)2(F)2	C(SeCFF)(N)	C(SeCFF)(N)	Se(CN)2(F)2	C(SeCFF)(N)	C(SeCFF)(N)	92.6393	1.247	5	92.6393	1.555	5	92.6393	1.555	5	92.6393	1.555	5	92.6393	1.555	5	92.6393	1.555	5
862	486	486	0:SPD8_SP3_SP3	I[5x3,4]	C[3,3,5]	C[3,3,5]	4:4:4:4:4:2:2:1:	4:4:8:1:	4:4:8:1:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:I[4]-2:I[4]-2:I-1:	C[3,3,5]-4:C[3,3,5]-4:I[5x3,4]-8:C-1:	C[3,3,5]-4:C[3,3,5]-4:I[5x3,4]-8:C-1:	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I)	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C)	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C)	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I){1|I<1>,5|C<4>}	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C){1|I<8>,2|C<1>}	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C){1|I<8>,2|C<1>}	64.7025	0.235	5	64.7025	0.055	5	64.7025	0.055	5	64.7025	0.055	5	64.7025	0.055	5	64.7025	0.055	5
862	486	486	3:SPD8_SP3_SP3	I[5x3,4]	C[3,3,5]	C[3,3,5]	4:4:4:4:4:2:2:1:	4:4:8:1:	4:4:8:1:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:I[4]-2:I[4]-2:I-1:	C[3,3,5]-4:C[3,3,5]-4:I[5x3,4]-8:C-1:	C[3,3,5]-4:C[3,3,5]-4:I[5x3,4]-8:C-1:	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I)	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C)	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C)	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I){1|I<1>,5|C<4>}	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C){1|I<8>,2|C<1>}	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C){1|I<8>,2|C<1>}	38.6245	0.881	5	38.6245	0.776	5	38.6245	0.776	5	38.6245	0.776	5	38.6245	0.776	5	38.6245	0.776	5
862	486	918	0:SPD8_SP-NON_SP3	I[5x3,4]	C[3,3,5]	I[4]	4:4:4:4:4:2:2:1:	4:4:8:1:	8:8:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:I[4]-2:I[4]-2:I-1:	C[3,3,5]-4:C[3,3,5]-4:I[5x3,4]-8:C-1:	I[5x3,4]-8:I[5x3,4]-8:	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I)	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C)	I[4](I[5x3,4]C[3,3,5]5I[4]I)2	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I){1|I<1>,5|C<4>}	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C){1|I<8>,2|C<1>}	I[4](I[5x3,4]C[3,3,5]5I[4]I)2{10|C<1>}	123.3067	24.629	10	123.3067	606.573	10	123.3067	606.573	10	123.3067	606.573	10	123.3067	606.573	10	123.3067	606.573	10
862	486	944	0:SPD8_SP-NON_SP3	I[5x3,4]	C[3,3,5]	I	4:4:4:4:4:2:2:1:	4:4:8:1:	8:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:I[4]-2:I[4]-2:I-1:	C[3,3,5]-4:C[3,3,5]-4:I[5x3,4]-8:C-1:	I[5x3,4]-8:	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I)	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C)	I(I[5x3,4]C[3,3,5]5I[4]2)	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I){1|I<1>,5|C<4>}	C[3,3,5](C[3,3,5]C[3,3,5]I[5x3,4]C)2(I[5x3,4]C[3,3,5]4I[4]2I)(C){1|I<8>,2|C<1>}	I(I[5x3,4]C[3,3,5]5I[4]2)	122.3546	26.197	5	122.3546	686.301	5	122.3546	686.301	5	122.3546	686.301	5	122.3546	686.301	5	122.3546	686.301	5
862	918	918	4:SPD8_SP-NON_SP-NON	I[5x3,4]	I[4]	I[4]	4:4:4:4:4:2:2:1:	8:8:	8:8:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:I[4]-2:I[4]-2:I-1:	I[5x3,4]-8:I[5x3,4]-8:	I[5x3,4]-8:I[5x3,4]-8:	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I)	I[4](I[5x3,4]C[3,3,5]5I[4]I)2	I[4](I[5x3,4]C[3,3,5]5I[4]I)2	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I){1|I<1>,5|C<4>}	I[4](I[5x3,4]C[3,3,5]5I[4]I)2{10|C<1>}	I[4](I[5x3,4]C[3,3,5]5I[4]I)2{10|C<1>}	82.9824	0.000	1	82.9824	0.000	1	82.9824	0.000	1	82.9824	0.000	1	82.9824	0.000	1	82.9824	0.000	1
862	918	944	0:SPD8_SP-NON_SP-NON	I[5x3,4]	I[4]	I	4:4:4:4:4:2:2:1:	8:8:	8:	C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:C[3,3,5]-4:I[4]-2:I[4]-2:I-1:	I[5x3,4]-8:I[5x3,4]-8:	I[5x3,4]-8:	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I)	I[4](I[5x3,4]C[3,3,5]5I[4]I)2	I(I[5x3,4]C[3,3,5]5I[4]2)	I[5x3,4](C[3,3,5]C[3,3,5]2C)5(I[4]I[5x3,4])2(I){1|I<1>,5|C<4>}	I[4](I[5x3,4]C[3,3,5]5I[4]I)2{10|C<1>}	I(I[5x3,4]C[3,3,5]5I[4]2)	89.6496	1.371	2	89.6496	1.879	2	89.6496	1.879	2	89.6496	1.879	2	89.6496	1.879	2	89.6496	1.879	2
864	18	18	3:SP3_SPD6_SPD6	S[3x3,3x5,12x6]	B[5x3,3x5,11x6]	B[5x3,3x5,11x6]	6:6:5:5:	6:6:5:4:6:1:	6:6:5:4:6:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:S[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:S[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2{1|B<4>,1|B<6>,1|H<2>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|B<4>,1|B<6>,1|H<2>,1|I<1>,2|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|B<6>,1|H<2>,1|I<1>,3|H<1>}	55.5915	0.000	1	55.5915	0.000	1	55.5915	0.000	1	55.5915	0.000	1	55.5915	0.000	1	55.5915	0.000	1
864	18	442	3:SP3_SPD5_SPD6	S[3x3,3x5,12x6]	B[5x3,3x5,11x6]	B[3x3,3x5,12x6]	6:6:5:5:	6:6:5:4:6:1:	6:6:6:4:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:S[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:S[3x3,3x5,12x6]-4:H-1:	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]B)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H)	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2{1|B<4>,1|B<6>,1|H<2>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|B<4>,1|B<6>,1|H<2>,1|I<1>,2|H<1>}	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]B)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H){1|B<6>,1|I<1>,4|H<1>}	57.0659	0.000	1	57.0659	0.000	1	56.4828	0.680	2	56.4828	0.680	2	56.4828	0.680	2	56.4828	0.680	2
864	18	442	3:SP3_SPD5_SPD6	S[3x3,3x5,12x6]	B[5x3,3x5,11x6]	B[3x3,3x5,12x6]	6:6:5:5:	6:6:5:4:6:1:	6:6:6:4:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:S[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:S[3x3,3x5,12x6]-4:H-1:	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H)	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2{1|B<4>,1|B<6>,1|H<2>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|B<6>,1|H<2>,1|I<1>,3|H<1>}	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H){1|B<4>,1|B<6>,1|I<1>,3|H<1>}	55.8997	0.000	1	55.8997	0.000	1	56.4828	0.680	2	56.4828	0.680	2	56.4828	0.680	2	56.4828	0.680	2
864	18	442	6:SP3_SPD5_SPD6	S[3x3,3x5,12x6]	B[5x3,3x5,11x6]	B[3x3,3x5,12x6]	6:6:5:5:	6:6:5:4:6:1:	6:6:6:4:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:S[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:S[3x3,3x5,12x6]-4:H-1:	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]B)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H)	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2{1|B<4>,1|B<6>,1|H<2>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|B<6>,1|H<2>,1|I<1>,3|H<1>}	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]B)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H){1|B<6>,1|I<1>,4|H<1>}	100.6270	0.000	1	100.6270	0.000	1	100.6230	0.000	2	100.6230	0.000	2	100.6230	0.000	2	100.6230	0.000	2
864	18	442	6:SP3_SPD5_SPD6	S[3x3,3x5,12x6]	B[5x3,3x5,11x6]	B[3x3,3x5,12x6]	6:6:5:5:	6:6:5:4:6:1:	6:6:6:4:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:S[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:S[3x3,3x5,12x6]-4:H-1:	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H)	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2{1|B<4>,1|B<6>,1|H<2>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]S[3x3,3x5,12x6]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|B<4>,1|B<6>,1|H<2>,1|I<1>,2|H<1>}	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H){1|B<4>,1|B<6>,1|I<1>,3|H<1>}	100.6190	0.000	1	100.6190	0.000	1	100.6230	0.000	2	100.6230	0.000	2	100.6230	0.000	2	100.6230	0.000	2
864	234	234	3:SP3_SP3_SP3	S[3x3]	N[3,3]	N[3,3]	4:4:3:3:	4:4:3:1:	4:4:3:1:	N[3,3]-4:N[3,3]-4:C[3]-3:C[3]-3:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	49.7680	0.000	1	49.7680	0.000	1	49.7680	0.000	1	49.7680	0.000	1	49.7680	0.000	1	49.7680	0.000	1
864	234	902	3:SP3_SP2_SP3	S[3x3]	N[3,3]	C[3]	4:4:3:3:	4:4:3:1:	4:4:1:	N[3,3]-4:N[3,3]-4:C[3]-3:C[3]-3:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:S[3x3]-4:H-1:	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H)	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H){2|H<1>}	77.7563	35.147	2	77.7563	1235.308	2	77.7563	1235.308	2	77.7563	1235.308	2	77.7563	1235.308	2	77.7563	1235.308	2
864	442	442	6:SP3_SPD5_SPD5	S[3x3,3x5,12x6]	B[3x3,3x5,12x6]	B[3x3,3x5,12x6]	6:6:5:5:	6:6:6:4:1:	6:6:6:4:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:B[3x3,3x5,12x6]-5:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:S[3x3,3x5,12x6]-4:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:S[3x3,3x5,12x6]-4:H-1:	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H)	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]B)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H)	S[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)2{1|B<4>,1|B<6>,1|H<2>,4|H<1>}	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H){1|B<4>,1|B<6>,1|I<1>,3|H<1>}	B[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2S[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]B)(S[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2)(H){1|B<6>,1|I<1>,4|H<1>}	104.3410	0.000	1	104.3410	0.000	1	104.3410	0.000	1	104.3410	0.000	1	104.3410	0.000	1	104.3410	0.000	1
864	490	490	0:SP3_SP3_SP3	S[3]	C	C	7:7:4:4:	4:1:1:1:	4:1:1:1:	Nb[3x3]-7:Nb[3x3]-7:C-4:C-4:	S[3]-4:H-1:H-1:H-1:	S[3]-4:H-1:H-1:H-1:	S[3](Nb[3x3]Nb[3x3]Cl[3]2Cl2S)2(CH3)2	C(S[3]Nb[3x3]2C)(H)3	C(S[3]Nb[3x3]2C)(H)3	S[3](Nb[3x3]Nb[3x3]Cl[3]2Cl2S)2(CH3)2	C(S[3]Nb[3x3]2C)(H)3	C(S[3]Nb[3x3]2C)(H)3	102.0390	0.000	1	102.0390	0.000	1	102.0390	0.000	1	102.0390	0.000	1	102.0390	0.000	1	102.0390	0.000	1
864	902	902	3:SP3_SP2_SP2	S[3x3]	C[3]	C[3]	4:4:3:3:	4:4:1:	4:4:1:	N[3,3]-4:N[3,3]-4:C[3]-3:C[3]-3:	N[3,3]-4:S[3x3]-4:H-1:	N[3,3]-4:S[3x3]-4:H-1:	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H)	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H)	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H){2|H<1>}	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H){2|H<1>}	154.8970	0.000	1	154.8970	0.000	1	154.8970	0.000	1	154.8970	0.000	1	154.8970	0.000	1	154.8970	0.000	1
865	18	18	3:SP3_SPD6_SPD6	P[3x3,3x5,12x6]	B[5x3,3x5,11x6]	B[5x3,3x5,11x6]	6:6:5:4:	6:6:5:4:6:1:	6:6:4:4:6:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:P[3x3,3x5,12x6]-4:P[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:Cl-1:	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]2B[5x3,5x5,5x6]Cl)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(Cl)	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]2B[5x3,5x5,5x6]Cl)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|C<5>,1|I<1>,2|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(Cl){1|B<5>,4|H<1>}	52.2214	0.058	2	52.2214	0.003	2	52.2214	0.003	2	52.2214	0.003	2	52.2214	0.003	2	52.2214	0.003	2
865	18	442	3:SP3_SPD5_SPD6	P[3,3,5,4x6]	B[5x3,5,5,4x6]	B[3x3,5,5,7x6]	5:5:6:3:	6:6:5:5:4:1:	6:6:5:4:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(C[6a]C[6a]2)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]P[3,3,5,4x6]H)2(P[3,3,5,4x6]B[3x3,5,5,7x6]2C[6a])(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H)	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]P[3,3,5,4x6]H)2(P[3,3,5,4x6]B[3x3,5,5,7x6]2C[6a])(H){1|C<4>,2|C<3>,3|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H){1|B<5>,2|C<3>,4|H<1>}	55.2537	0.007	2	55.2537	0.000	2	55.2537	0.000	2	55.2537	0.000	2	55.3426	0.024	4	55.3426	0.024	4
865	18	442	3:SP3_SPD5_SPD6	P[3,3,5,4x6]	B[5x3,5,5,4x6]	B[3x3,5,5,7x6]	5:5:6:4:	6:6:5:5:4:1:	6:6:5:4:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:C-4:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(CH3)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]P[3,3,5,4x6]H)2(P[3,3,5,4x6]B[3x3,5,5,7x6]2C)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(H)	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(CH3){1|B<6>,1|C<4>,4|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]P[3,3,5,4x6]H)2(P[3,3,5,4x6]B[3x3,5,5,7x6]2C)(H){1|C<4>,3|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(H){1|B<5>,4|H<1>}	55.4314	0.203	2	55.4314	0.041	2	55.4314	0.041	2	55.4314	0.041	2	55.3426	0.024	4	55.3426	0.024	4
865	18	490	0:SP3_SP3_SPD6	P[3,3,5,4x6]	B[5x3,5,5,4x6]	C	5:5:6:4:	6:6:5:5:4:1:	4:1:1:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:C-4:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	P[3,3,5,4x6]-4:H-1:H-1:H-1:	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(CH3)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]P[3,3,5,4x6]H)2(P[3,3,5,4x6]B[3x3,5,5,7x6]2C)(H)	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(H)3	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(CH3){1|B<6>,1|C<4>,4|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]P[3,3,5,4x6]H)2(P[3,3,5,4x6]B[3x3,5,5,7x6]2C)(H){1|C<4>,3|H<1>}	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(H)3	105.1560	0.000	1	105.1560	0.000	1	105.1560	0.000	1	105.1560	0.000	1	105.1560	0.000	1	105.1560	0.000	1
865	18	643	0:SP3_SP2_SPD6	P[3,3,5,4x6]	B[5x3,5,5,4x6]	C[6a]	5:5:6:3:	6:6:5:5:4:1:	4:3:3:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,3x5,6,6]-6:B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	P[3,3,5,4x6]-4:C[6a]-3:C[6a]-3:	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(C[6a]C[6a]2)	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]P[3,3,5,4x6]H)2(P[3,3,5,4x6]B[3x3,5,5,7x6]2C[6a])(H)	C[6a](P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(C[6a]C[6a]H)2	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	B[5x3,5,5,4x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]P[3,3,5,4x6]H)2(P[3,3,5,4x6]B[3x3,5,5,7x6]2C[6a])(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(C[6a]C[6a]H)2{1|C<3>,2|B<5>,2|B<6>,5|H<1>}	104.0490	0.000	1	104.0490	0.000	1	104.0490	0.000	1	104.0490	0.000	1	104.0490	0.000	1	104.0490	0.000	1
865	18	778	3:SP3_SPD5_SPD6	P[3x3,3x5,12x6]	B[5x3,3x5,11x6]	C[3x3,3x5,12x6]	6:6:5:4:	6:6:5:4:6:1:	6:6:5:4:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:H-1:	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]2B[5x3,5x5,5x6]Cl)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]I)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6])(H)	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]2B[5x3,5x5,5x6]Cl)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|C<5>,1|I<1>,2|H<1>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]I)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6])(H){1|Cl<1>,1|B<6>,3|H<1>}	52.1409	0.093	2	52.1409	0.009	2	52.1409	0.009	2	52.1409	0.009	2	52.1409	0.009	2	52.1409	0.009	2
865	18	778	6:SP3_SPD5_SPD6	P[3x3,3x5,12x6]	B[5x3,3x5,11x6]	C[3x3,3x5,12x6]	6:6:5:4:	6:6:4:4:6:1:	6:6:5:4:1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:P[3x3,3x5,12x6]-4:P[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:Cl-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:H-1:	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(Cl)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]I)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6])(H)	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(Cl){1|B<5>,4|H<1>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]I)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6])(H){1|Cl<1>,1|B<6>,3|H<1>}	90.3306	0.013	2	90.3306	0.000	2	90.3306	0.000	2	90.3306	0.000	2	90.3306	0.000	2	90.3306	0.000	2
865	18	865	3:SP3_SP3_SPD6	P[3x3,3x5,12x6]	B[5x3,3x5,11x6]	P[3x3,3x5,12x6]	6:6:5:4:	6:6:4:4:6:1:	6:6:5:4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:P[3x3,3x5,12x6]-4:P[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:Cl-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(Cl)	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(Cl){1|B<5>,4|H<1>}	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	58.6650	0.035	2	58.6650	0.001	2	58.6650	0.001	2	58.6650	0.001	2	58.6650	0.001	2	58.6650	0.001	2
865	18	865	6:SP3_SP3_SPD6	P[3x3,3x5,12x6]	B[5x3,3x5,11x6]	P[3x3,3x5,12x6]	6:6:5:4:	6:6:5:4:6:1:	6:6:5:4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:B[5x3,5x5,5x6]-6:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]2B[5x3,5x5,5x6]Cl)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H)	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]2B[5x3,5x5,5x6]Cl)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]P[3x3,3x5,12x6]H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]P[3x3,3x5,12x6])(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(H){1|C<5>,1|I<1>,2|H<1>}	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	100.1675	0.037	2	100.1675	0.001	2	100.1675	0.001	2	100.1675	0.001	2	100.1675	0.001	2	100.1675	0.001	2
865	138	643	0:SP3_SP2_SP3	P[3]	N[3]	C[6a]	7:3:3:3:	7:4:4:	4:3:3:	Nb[3x3]-7:N[3]-3:C[6a]-3:C[6a]-3:	Nb[3x3]-7:P[3]-4:C-4:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](Nb[3x3]N[3]3P[3]2Cl)(N[3]Nb[3x3]C)(C[6a]C[6a]2)2	N[3](Nb[3x3]N[3]2P[3]3Cl)(P[3]Nb[3x3]C[6a]2)(CCCH)	C[6a](P[3]Nb[3x3]C[6a]N[3])(C[6a]C[6a]H)2	P[3](Nb[3x3]N[3]3P[3]2Cl)(N[3]Nb[3x3]C)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	N[3](Nb[3x3]N[3]2P[3]3Cl)(P[3]Nb[3x3]C[6a]2)(CCCH){2|C<4>,8|C<3>}	C[6a](P[3]Nb[3x3]C[6a]N[3])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,2|P<4>,3|C<3>}	111.0782	3.579	6	111.0782	12.812	6	111.0782	12.812	6	111.0782	12.812	6	111.0782	12.812	6	111.0782	12.812	6
865	442	442	6:SP3_SPD5_SPD5	P[3,3,5,4x6]	B[3x3,5,5,7x6]	B[3x3,5,5,7x6]	5:5:6:3:	6:6:5:4:1:	6:6:5:4:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(C[6a]C[6a]2)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H)	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H){1|B<5>,2|C<3>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H){1|B<5>,2|C<3>,4|H<1>}	98.4853	0.000	1	98.4853	0.000	1	98.4853	0.000	1	98.4853	0.000	1	98.3265	0.050	2	98.3265	0.050	2
865	442	442	6:SP3_SPD5_SPD5	P[3,3,5,4x6]	B[3x3,5,5,7x6]	B[3x3,5,5,7x6]	5:5:6:4:	6:6:5:4:1:	6:6:5:4:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:C-4:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(CH3)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(H)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(H)	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(CH3){1|B<6>,1|C<4>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(H){1|B<5>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(H){1|B<5>,4|H<1>}	98.1677	0.000	1	98.1677	0.000	1	98.1677	0.000	1	98.1677	0.000	1	98.3265	0.050	2	98.3265	0.050	2
865	442	490	0:SP3_SP3_SPD5	P[3,3,5,4x6]	B[3x3,5,5,7x6]	C	5:5:6:4:	6:6:5:4:1:	4:1:1:1:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:C-4:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	P[3,3,5,4x6]-4:H-1:H-1:H-1:	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(CH3)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(H)	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(H)3	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(CH3){1|B<6>,1|C<4>,4|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(H){1|B<5>,4|H<1>}	C(P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(H)3	117.6555	2.150	2	117.6555	4.624	2	117.6555	4.624	2	117.6555	4.624	2	117.6555	4.624	2	117.6555	4.624	2
865	442	643	0:SP3_SP2_SPD5	P[3,3,5,4x6]	B[3x3,5,5,7x6]	C[6a]	5:5:6:3:	6:6:5:4:1:	4:3:3:	B[3x3,5,5,7x6]-5:B[3x3,5,5,7x6]-5:B[5x3,5,5,4x6]-6:C[6a]-3:	B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:P[3,3,5,4x6]-4:H-1:	P[3,3,5,4x6]-4:C[6a]-3:C[6a]-3:	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(C[6a]C[6a]2)	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H)	C[6a](P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(C[6a]C[6a]H)2	P[3,3,5,4x6](B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)2(B[5x3,5,5,4x6]B[3x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	B[3x3,5,5,7x6](B[5x3,3x5,6,6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2P[3,3,5,4x6]H)(B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]H)(P[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[6a])(H){1|B<5>,2|C<3>,4|H<1>}	C[6a](P[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6])(C[6a]C[6a]H)2{1|C<3>,2|B<5>,2|B<6>,5|H<1>}	116.5670	0.383	2	116.5670	0.147	2	116.5670	0.147	2	116.5670	0.147	2	116.5670	0.147	2	116.5670	0.147	2
865	486	486	0:SP3_SP3_SP3	P[3x3,5]	C[3,3,6]	C[3,5,6]	4:4:4:4:	4:4:4:3:	4:4:3:4:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	P[3x3,5]-4:B[3,3,6]-4:C[5,6]-3:C[3x6]-4:	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3)	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|H<1>,7|C<3>}	79.9476	0.000	1	79.9476	0.000	1	79.9476	0.000	1	79.9476	0.000	1	79.9476	0.000	1	79.9476	0.000	1
865	486	486	3:SP3_SP3_SP3	P[3]	C[3]	C[3]	3:3:4:4:	4:4:4:1:	4:4:4:1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	P[3]-4:C[3]-4:C-4:H-1:	P[3]-4:C[3]-4:C-4:H-1:	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CBHH)(H)	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CHHO)(H)	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2{4|C<3>,4|C<4>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CBHH)(H){4|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CHHO)(H){4|C<3>}	49.7969	0.000	1	49.7969	0.000	1	49.7969	0.000	1	49.7969	0.000	1	49.7969	0.000	1	48.2730	4.645	2
865	486	486	3:SP3_SP3_SP3	P[3x3,5]	C[3,3,6]	C[3,5,6]	4:4:4:4:	4:4:4:3:	4:4:3:3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	46.7490	0.000	1	46.7490	0.000	1	46.7490	0.000	1	46.7490	0.000	1	46.7490	0.000	1	48.2730	4.645	2
865	486	486	5:SP3_SP3_SP3	P[3x3,5]	C[3,5,6]	C[3,5,6]	4:4:4:4:	4:4:3:4:	4:4:3:3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	P[3x3,5]-4:B[3,3,6]-4:C[5,6]-3:C[3x6]-4:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3)	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|H<1>,7|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	86.5395	0.000	1	86.5395	0.000	1	86.5395	0.000	1	86.5395	0.000	1	86.5395	0.000	1	86.5395	0.000	1
865	486	490	0:SP3_SP3_SP3	P[3]	C[3]	C	4:3:4:4:	4:3:4:1:	4:4:1:1:	C[3]-4:P[3]-3:C-4:C-4:	P[3]-4:P[3]-3:C-4:H-1:	P[3]-4:C-4:H-1:H-1:	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(P[3]C[3]P[3]C)(CC3)(H)2	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(P[3]C[3]P[3]C)(CC3)(H)2	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	118.3585	19.201	2	118.3585	19.201	2
865	486	490	0:SP3_SP3_SP3	P[3]	C[3]	C	4:3:4:4:	4:3:4:1:	4:4:4:4:	C[3]-4:P[3]-3:C-4:C-4:	P[3]-4:P[3]-3:C-4:H-1:	P[3]-4:C-4:C-4:C-4:	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(P[3]C[3]P[3]C)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(P[3]C[3]P[3]C)(CH3)3	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	118.3585	19.201	2	118.3585	19.201	2
865	486	643	0:SP3_SP2_SP3	P[3]	C[3]	C[6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	P[3]-4:C[3]-4:C-4:H-1:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CBHH)(H)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2{4|C<3>,4|C<4>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CBHH)(H){4|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{2|C<4>,3|C<3>,4|H<1>}	117.3415	7.138	2	117.3415	50.955	2	117.3855	18.655	4	117.3855	18.655	4	117.3855	18.655	4	117.3855	18.655	4
865	486	643	0:SP3_SP2_SP3	P[3]	C[3]	C[6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	P[3]-4:C[3]-4:C-4:H-1:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CHHO)(H)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2{4|C<3>,4|C<4>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CHHO)(H){4|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{2|C<4>,3|C<3>,4|H<1>}	117.4295	2.237	2	117.4295	5.002	2	117.3855	18.655	4	117.3855	18.655	4	117.3855	18.655	4	117.3855	18.655	4
865	486	654	0:SP3_SP3_SP3	P[3x3,5]	C[3,5,6]	B[3,3,6]	4:4:4:4:	4:4:3:3:	4:4:4:3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	P[3x3,5]-4:C[3,3,6]-4:C[5,6]-3:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2)	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(C[3,3,6]B[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	79.4042	0.000	1	79.4042	0.000	1	79.4042	0.000	1	79.4042	0.000	1	79.4042	0.000	1	79.4042	0.000	1
865	486	654	3:SP3_SP3_SP3	P[3x3,5]	C[3,3,6]	B[3,3,6]	4:4:4:4:	4:4:4:3:	4:4:4:3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	B[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	C[3,3,6](B[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[5,6]C[6a])(P[3x3,5]B[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	43.7632	0.000	1	43.7632	0.000	1	43.7632	0.000	1	43.7632	0.000	1	43.7632	0.000	1	44.8766	2.479	2
865	486	654	3:SP3_SP3_SP3	P[3x3,5]	C[3,5,6]	B[3,3,6]	4:4:4:4:	4:4:3:4:	4:4:4:3:	B[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:	P[3x3,5]-4:B[3,3,6]-4:C[5,6]-3:C[3x6]-4:	C[3,3,6]-4:C[3,5,6]-4:P[3x3,5]-4:C[6a]-3:	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a])	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3)	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2)	P[3x3,5](B[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,3,6]B[3,3,6]C[3,5,6]C[6a])(C[3,5,6]B[3,3,6]C[3x6]C[5,6])(C[3,5,6]C[3,3,6]C[5,6]C[6a]){3|C<4>,8|C<3>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|H<1>,7|C<3>}	B[3,3,6](C[3,3,6]C[3,5,6]P[3x3,5]C[6a])(C[3,5,6]P[3x3,5]C[3x6]C[5,6])(P[3x3,5]C[3,3,6]C[3,5,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	45.9900	0.000	1	45.9900	0.000	1	45.9900	0.000	1	45.9900	0.000	1	45.9900	0.000	1	44.8766	2.479	2
865	486	852	3:SP3_SP3_SP3	P[3]	C[3]	P[3]	4:3:4:4:	4:3:4:1:	4:4:4:	C[3]-4:P[3]-3:C-4:C-4:	P[3]-4:P[3]-3:C-4:H-1:	C[3]-4:P[3]-4:C-4:	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	55.8199	0.000	1	55.8199	0.000	1	55.8199	0.000	1	55.8199	0.000	1	55.8199	0.000	1	55.8199	0.000	1
865	490	490	0:SP3_SP3_SP3	P[3]	C	C	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[3]-3:C[3]-3:C-4:C-4:	P[3]-4:C-4:C-4:C-4:	P[3]-4:C-4:C-4:C-4:	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2	C(P[3]C[3]2C)(CH3)3	C(P[3]C[3]2C)(CH3)3	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2{2|C<3>}	C(P[3]C[3]2C)(CH3)3	C(P[3]C[3]2C)(CH3)3	119.0620	0.000	1	119.0620	0.000	1	119.0620	0.000	1	119.0620	0.000	1	113.7085	57.320	2	113.7085	57.320	2
865	490	490	0:SP3_SP3_SP3	P[3]	C	C	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:P[3]-3:C-4:C-4:	P[3]-4:C-4:H-1:H-1:	P[3]-4:C-4:C-4:C-4:	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C(P[3]C[3]P[3]C)(CC3)(H)2	C(P[3]C[3]P[3]C)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C(P[3]C[3]P[3]C)(CC3)(H)2	C(P[3]C[3]P[3]C)(CH3)3	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	113.7085	57.320	2	113.7085	57.320	2
865	490	852	0:SP3_SP3_SP3	P[3]	C	P[3]	4:3:4:4:	4:4:1:1:	4:4:4:	C[3]-4:P[3]-3:C-4:C-4:	P[3]-4:C-4:H-1:H-1:	C[3]-4:P[3]-4:C-4:	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C(P[3]C[3]P[3]C)(CC3)(H)2	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C(P[3]C[3]P[3]C)(CC3)(H)2	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	123.5805	134.005	2	123.5805	134.005	2
865	490	852	0:SP3_SP3_SP3	P[3]	C	P[3]	4:3:4:4:	4:4:4:4:	4:4:4:	C[3]-4:P[3]-3:C-4:C-4:	P[3]-4:C-4:C-4:C-4:	C[3]-4:P[3]-4:C-4:	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C(P[3]C[3]P[3]C)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C(P[3]C[3]P[3]C)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	131.7660	0.000	1	131.7660	0.000	1	131.7660	0.000	1	131.7660	0.000	1	123.5805	134.005	2	123.5805	134.005	2
865	490	902	0:SP3_SP2_SP3	P[3]	C	C[3]	3:3:4:4:	4:4:4:4:	3:4:3:	C[3]-3:C[3]-3:C-4:C-4:	P[3]-4:C-4:C-4:C-4:	C[6a]-3:P[3]-4:C[3]-3:	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2	C(P[3]C[3]2C)(CH3)3	C[3](C[6a]C[6a]2)(P[3]C[3]CC)(C[3]P[3]B)	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2{2|C<3>}	C(P[3]C[3]2C)(CH3)3	C[3](C[6a]C[6a]2)(P[3]C[3]CC)(C[3]P[3]B){2|C<3>,2|H<1>}	116.4895	1.201	2	116.4895	1.443	2	116.4895	1.443	2	116.4895	1.443	2	117.8353	3.199	4	117.8353	3.199	4
865	490	902	0:SP3_SP2_SP3	P[3]	C	C[3]	3:3:4:4:	4:4:4:4:	3:4:4:	C[3]-3:C[3]-3:C-4:C-4:	P[3]-4:C-4:C-4:C-4:	C[3]-3:P[3]-4:B-4:	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2	C(P[3]C[3]2C)(CH3)3	C[3](C[3]C[6a]P[3])(P[3]C[3]CC)(BC[6a]2Br)	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2{2|C<3>}	C(P[3]C[3]2C)(CH3)3	C[3](C[3]C[6a]P[3])(P[3]C[3]CC)(BC[6a]2Br){2|C<3>}	119.1810	0.953	2	119.1810	0.909	2	119.1810	0.909	2	119.1810	0.909	2	117.8353	3.199	4	117.8353	3.199	4
865	542	542	5:SP3_SP2_SP2	P[3,5]	N[5]	N[5]	3:3:3:2:	4:3:4:	4:3:4:	N[5]-3:N[5]-3:C[3]-3:P[3]-2:	P[3,5]-4:C[6a]-3:C[5]-4:	P[3,5]-4:C[6a]-3:C[5]-4:	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3])	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH)	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3]){4|C<3>,4|H<1>}	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	95.2799	0.000	1	95.2799	0.000	1	95.2799	0.000	1	95.2799	0.000	1	95.2799	0.000	1	95.2799	0.000	1
865	542	895	0:SP3_SP-NON_SP2	P[3,5]	N[5]	P[3]	3:3:3:2:	4:3:4:	4:3:	N[5]-3:N[5]-3:C[3]-3:P[3]-2:	P[3,5]-4:C[6a]-3:C[5]-4:	P[3,5]-4:C[3]-3:	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3])	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH)	P[3](P[3,5]C[3]N[5]2)(C[3]P[3,5]O)	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3]){4|C<3>,4|H<1>}	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	P[3](P[3,5]C[3]N[5]2)(C[3]P[3,5]O){2|C<3>,2|C<4>}	127.8460	1.150	2	127.8460	1.322	2	127.8460	1.322	2	127.8460	1.322	2	127.8460	1.322	2	127.8460	1.322	2
865	542	902	0:SP3_SP2_SP2	P[3,5]	N[5]	C[3]	3:3:3:2:	4:3:4:	4:2:2:	N[5]-3:N[5]-3:C[3]-3:P[3]-2:	P[3,5]-4:C[6a]-3:C[5]-4:	P[3,5]-4:P[3]-2:O-2:	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3])	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH)	C[3](P[3,5]N[5]2P[3])(P[3]P[3,5])(OB)	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3]){4|C<3>,4|H<1>}	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3](P[3,5]N[5]2P[3])(P[3]P[3,5])(OB){2|C<3>,2|C<4>}	126.0295	3.483	2	126.0295	12.128	2	126.0295	12.128	2	126.0295	12.128	2	126.0295	12.128	2	126.0295	12.128	2
865	643	643	0:SP3_SP2_SP2	P[3]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[3]-3:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)2	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]H)2	P[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	113.2666	3.782	5	109.6890	42.145	10	109.6890	42.145	10
865	643	643	0:SP3_SP2_SP2	P[3]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[6a]-3:C[6a]-3:C[3]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](C[3]C[6a]C[3])(C[6a]C[6a]2)2(C[3]C[3]B)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	P[3](C[3]C[6a]C[3])(C[6a]C[6a]2)2(C[3]C[3]B){4|C<4>,6|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|B<4>,2|H<1>,4|C<3>}	113.7870	0.479	2	113.7870	0.230	2	113.7870	0.230	2	113.2666	3.782	5	109.6890	42.145	10	109.6890	42.145	10
865	643	643	0:SP3_SP2_SP2	P[3]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-3:C[3]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B){4|C<3>,4|C<4>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|Si<4>,1|B<4>,2|H<1>,3|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|Si<4>,1|B<4>,2|H<1>,3|C<3>}	113.5675	3.388	2	113.5675	11.477	2	113.5675	11.477	2	113.2666	3.782	5	109.6890	42.145	10	109.6890	42.145	10
865	643	643	0:SP3_SP2_SP2	P[3]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2{4|C<3>,4|C<4>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{2|C<4>,3|C<3>,4|H<1>}	119.0550	0.000	1	119.0550	0.000	1	119.0550	0.000	1	119.0550	0.000	1	109.6890	42.145	10	109.6890	42.145	10
865	643	643	0:SP3_SP2_SP2	P[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	B[3,6]-4:B[3,6]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](B[3,6]C[6,6a]B[3,6]C[5])(B[3,6]B[3,6]P[6]H)(C[6a]C[6a]2)2	C[6a](P[3]B[3,6]2C[6a])(C[6a]C[6a]H)2	C[6a](P[3]B[3,6]2C[6a])(C[6a]C[6a]H)2	P[3](B[3,6]C[6,6a]B[3,6]C[5])(B[3,6]B[3,6]P[6]H)(C[6a]C[6a]2)2{2|N<3>,3|C<4>,4|H<1>,6|C<3>}	C[6a](P[3]B[3,6]2C[6a])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	C[6a](P[3]B[3,6]2C[6a])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	109.6890	42.145	10	109.6890	42.145	10
865	643	643	0:SP3_SP2_SP2	P[3]	C[6a]	C[6a]	7:3:3:3:	4:3:3:	4:3:3:	Nb[3x3]-7:N[3]-3:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3](Nb[3x3]N[3]3P[3]2Cl)(N[3]Nb[3x3]C)(C[6a]C[6a]2)2	C[6a](P[3]Nb[3x3]C[6a]N[3])(C[6a]C[6a]H)2	C[6a](P[3]Nb[3x3]C[6a]N[3])(C[6a]C[6a]H)2	P[3](Nb[3x3]N[3]3P[3]2Cl)(N[3]Nb[3x3]C)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	C[6a](P[3]Nb[3x3]C[6a]N[3])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,2|P<4>,3|C<3>}	C[6a](P[3]Nb[3x3]C[6a]N[3])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,2|P<4>,3|C<3>}	101.4223	0.843	3	101.4223	0.711	3	101.4223	0.711	3	101.4223	0.711	3	109.6890	42.145	10	109.6890	42.145	10
865	643	654	0:SP3_SP2_SP3	P[3]	C[6a]	B[3,6]	4:4:3:3:	4:3:3:	3:4:4:3:	B[3,6]-4:B[3,6]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:P[3]-4:B[3,6]-4:C[5]-3:	P[3](B[3,6]C[6,6a]B[3,6]C[5])(B[3,6]B[3,6]P[6]H)(C[6a]C[6a]2)2	C[6a](P[3]B[3,6]2C[6a])(C[6a]C[6a]H)2	B[3,6](C[6,6a]C[6,6a]C[6a])(P[3]B[3,6]C[6a]2)(B[3,6]P[3]P[6]H)(C[5]N[5]2)	P[3](B[3,6]C[6,6a]B[3,6]C[5])(B[3,6]B[3,6]P[6]H)(C[6a]C[6a]2)2{2|N<3>,3|C<4>,4|H<1>,6|C<3>}	C[6a](P[3]B[3,6]2C[6a])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	B[3,6](C[6,6a]C[6,6a]C[6a])(P[3]B[3,6]C[6a]2)(B[3,6]P[3]P[6]H)(C[5]N[5]2){1|H<1>,5|C<4>,8|C<3>}	122.1895	4.581	2	122.1895	20.989	2	122.1895	20.989	2	122.1895	20.989	2	121.9475	39.643	4	121.9475	39.643	4
865	643	654	0:SP3_SP2_SP3	P[3]	C[6a]	B[3,6]	4:4:3:3:	4:3:3:	4:4:4:1:	B[3,6]-4:B[3,6]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	B[3,6]-4:P[3]-4:P[6]-4:H-1:	P[3](B[3,6]C[6,6a]B[3,6]C[5])(B[3,6]B[3,6]P[6]H)(C[6a]C[6a]2)2	C[6a](P[3]B[3,6]2C[6a])(C[6a]C[6a]H)2	B[3,6](B[3,6]C[6,6a]C[5]P[3])(P[3]B[3,6]C[6a]2)(P[6]C[6]3)(H)	P[3](B[3,6]C[6,6a]B[3,6]C[5])(B[3,6]B[3,6]P[6]H)(C[6a]C[6a]2)2{2|N<3>,3|C<4>,4|H<1>,6|C<3>}	C[6a](P[3]B[3,6]2C[6a])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	B[3,6](B[3,6]C[6,6a]C[5]P[3])(P[3]B[3,6]C[6a]2)(P[6]C[6]3)(H){2|N<3>,4|C<4>,4|H<1>,6|C<3>}	121.7055	9.885	2	121.7055	97.706	2	121.7055	97.706	2	121.7055	97.706	2	121.9475	39.643	4	121.9475	39.643	4
865	643	902	0:SP3_SP2_SP2	P[3]	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[3]-3:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:C[6a]-3:	P[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)2	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]H)2	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(C[6a]C[6a]2)	P[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.1045	2.984	4	121.1045	8.904	4	121.1045	8.904	4	120.0605	6.500	8	120.5112	6.134	20	120.5112	6.134	20
865	643	902	0:SP3_SP2_SP2	P[3]	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[6a]-3:C[6a]-3:C[3]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[6a]-3:C[3]-3:	P[3](C[3]C[6a]C[3])(C[6a]C[6a]2)2(C[3]C[3]B)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	C[3](P[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]P[3]B)	P[3](C[3]C[6a]C[3])(C[6a]C[6a]2)2(C[3]C[3]B){4|C<4>,6|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|B<4>,2|H<1>,4|C<3>}	C[3](P[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]P[3]B){2|H<1>,6|C<3>}	119.0165	1.832	4	119.0165	3.356	4	119.0165	3.356	4	120.0605	6.500	8	120.5112	6.134	20	120.5112	6.134	20
865	643	902	0:SP3_SP2_SP2	P[3]	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:4:	C[3]-3:C[6a]-3:C[6a]-3:C[3]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:B-4:	P[3](C[3]C[6a]C[3])(C[6a]C[6a]2)2(C[3]C[3]B)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(BC[6a]3)	P[3](C[3]C[6a]C[3])(C[6a]C[6a]2)2(C[3]C[3]B){4|C<4>,6|C<3>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|B<4>,2|H<1>,4|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(BC[6a]3){6|C<3>}	121.5885	3.232	4	121.5885	10.448	4	121.5885	10.448	4	120.8118	6.213	12	120.5112	6.134	20	120.5112	6.134	20
865	643	902	0:SP3_SP2_SP2	P[3]	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[3]-3:C[3]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:B-4:	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Br)	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B){4|C<3>,4|C<4>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|Si<4>,1|B<4>,2|H<1>,3|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Br){4|C<3>}	120.3025	1.599	2	120.3025	2.556	2	121.2782	2.499	4	120.8118	6.213	12	120.5112	6.134	20	120.5112	6.134	20
865	643	902	0:SP3_SP2_SP2	P[3]	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[3]-3:C[3]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:B-4:	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Cl)	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B){4|C<3>,4|C<4>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|Si<4>,1|B<4>,2|H<1>,3|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Cl){4|C<3>}	122.2540	1.065	2	122.2540	1.134	2	121.2782	2.499	4	120.8118	6.213	12	120.5112	6.134	20	120.5112	6.134	20
865	643	902	0:SP3_SP2_SP2	P[3]	C[6a]	C[3]	3:3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C[3]-3:C[3]-3:	P[3]-4:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:Si-4:	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B)	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]B)(SiC3)	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B){4|C<3>,4|C<4>}	C[6a](P[3]C[6a]C[3]2)(C[6a]C[6a]C)2{1|Si<4>,1|B<4>,2|H<1>,3|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]B)(SiC3){4|C<3>}	119.5685	2.584	4	119.5685	6.677	4	119.5685	6.677	4	120.8118	6.213	12	120.5112	6.134	20	120.5112	6.134	20
865	654	654	3:SP3_SP3_SP3	P[3]	B[3,6]	B[3,6]	4:4:3:3:	3:4:4:3:	4:4:4:1:	B[3,6]-4:B[3,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:P[3]-4:B[3,6]-4:C[5]-3:	B[3,6]-4:P[3]-4:P[6]-4:H-1:	P[3](B[3,6]C[6,6a]B[3,6]C[5])(B[3,6]B[3,6]P[6]H)(C[6a]C[6a]2)2	B[3,6](C[6,6a]C[6,6a]C[6a])(P[3]B[3,6]C[6a]2)(B[3,6]P[3]P[6]H)(C[5]N[5]2)	B[3,6](B[3,6]C[6,6a]C[5]P[3])(P[3]B[3,6]C[6a]2)(P[6]C[6]3)(H)	P[3](B[3,6]C[6,6a]B[3,6]C[5])(B[3,6]B[3,6]P[6]H)(C[6a]C[6a]2)2{2|N<3>,3|C<4>,4|H<1>,6|C<3>}	B[3,6](C[6,6a]C[6,6a]C[6a])(P[3]B[3,6]C[6a]2)(B[3,6]P[3]P[6]H)(C[5]N[5]2){1|H<1>,5|C<4>,8|C<3>}	B[3,6](B[3,6]C[6,6a]C[5]P[3])(P[3]B[3,6]C[6a]2)(P[6]C[6]3)(H){2|N<3>,4|C<4>,4|H<1>,6|C<3>}	54.5645	0.000	1	54.5645	0.000	1	54.5645	0.000	1	54.5645	0.000	1	54.5645	0.000	1	54.5645	0.000	1
865	778	865	6:SP3_SP3_SPD5	P[3x3,3x5,12x6]	C[3x3,3x5,12x6]	P[3x3,3x5,12x6]	6:6:5:4:	6:6:5:4:1:	6:6:5:4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:P[3x3,3x5,12x6]-4:	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]I)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6])(H)	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]I)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6])(H){1|Cl<1>,1|B<6>,3|H<1>}	P[3x3,3x5,12x6](B[5x3,3x5,11x6]B[5x3,3x5,11x6]2P[3x3,3x5,12x6]B[5x3,5x5,5x6]Cl)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(P[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]){1|B<6>,1|I<1>,4|H<1>}	97.4442	0.132	2	97.4442	0.017	2	97.4442	0.017	2	97.4442	0.017	2	97.4442	0.017	2	97.4442	0.017	2
865	895	902	3:SP3_SP-NON_SP2	P[3,5]	P[3]	C[3]	3:3:3:2:	4:3:	4:2:2:	N[5]-3:N[5]-3:C[3]-3:P[3]-2:	P[3,5]-4:C[3]-3:	P[3,5]-4:P[3]-2:O-2:	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3])	P[3](P[3,5]C[3]N[5]2)(C[3]P[3,5]O)	C[3](P[3,5]N[5]2P[3])(P[3]P[3,5])(OB)	P[3,5](N[5]C[6a]C[5])2(C[3]P[3]O)(P[3]C[3]){4|C<3>,4|H<1>}	P[3](P[3,5]C[3]N[5]2)(C[3]P[3,5]O){2|C<3>,2|C<4>}	C[3](P[3,5]N[5]2P[3])(P[3]P[3,5])(OB){2|C<3>,2|C<4>}	53.6893	0.000	1	53.6893	0.000	1	53.6893	0.000	1	53.6893	0.000	1	53.6893	0.000	1	53.6893	0.000	1
865	902	902	3:SP3_SP2_SP2	P[3]	C[3]	C[3]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[3]-3:C[6a]-3:C[6a]-3:	P[3]-4:C[3]-3:C[6a]-3:	P[3]-4:C[3]-3:C[6a]-3:	P[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)2	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(C[6a]C[6a]2)	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(C[6a]C[6a]2)	P[3](C[3]C[6a]C[3])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(C[6a]C[6a]2){2|H<1>,8|C<3>}	45.5361	0.000	1	45.5361	0.000	1	45.5361	0.000	1	45.5361	0.000	1	44.4181	0.371	6	44.4181	0.371	6
865	902	902	3:SP3_SP2_SP2	P[3]	C[3]	C[3]	3:3:3:3:	4:3:3:	4:3:4:	C[3]-3:C[6a]-3:C[6a]-3:C[3]-3:	P[3]-4:C[6a]-3:C[3]-3:	P[3]-4:C[3]-3:B-4:	P[3](C[3]C[6a]C[3])(C[6a]C[6a]2)2(C[3]C[3]B)	C[3](P[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]P[3]B)	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(BC[6a]3)	P[3](C[3]C[6a]C[3])(C[6a]C[6a]2)2(C[3]C[3]B){4|C<4>,6|C<3>}	C[3](P[3]C[6a]2C[3])(C[6a]C[6a]2)(C[3]P[3]B){2|H<1>,6|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]C[6a]P[3])(BC[6a]3){6|C<3>}	43.9185	0.184	2	43.9185	0.034	2	43.9185	0.034	2	43.9185	0.034	2	44.4181	0.371	6	44.4181	0.371	6
865	902	902	3:SP3_SP2_SP2	P[3]	C[3]	C[3]	3:3:3:3:	4:3:4:	4:3:4:	C[6a]-3:C[6a]-3:C[3]-3:C[3]-3:	P[3]-4:C[3]-3:B-4:	P[3]-4:C[3]-3:Si-4:	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B)	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Br)	C[3](P[3]C[6a]2C[3])(C[3]P[3]B)(SiC3)	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B){4|C<3>,4|C<4>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Br){4|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]B)(SiC3){4|C<3>}	44.2021	0.000	1	44.2021	0.000	1	44.3832	0.066	2	44.3832	0.066	2	44.4181	0.371	6	44.4181	0.371	6
865	902	902	3:SP3_SP2_SP2	P[3]	C[3]	C[3]	3:3:3:3:	4:3:4:	4:3:4:	C[6a]-3:C[6a]-3:C[3]-3:C[3]-3:	P[3]-4:C[3]-3:B-4:	P[3]-4:C[3]-3:Si-4:	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B)	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Cl)	C[3](P[3]C[6a]2C[3])(C[3]P[3]B)(SiC3)	P[3](C[6a]C[6a]2)2(C[3]C[3]Si)(C[3]C[3]B){4|C<3>,4|C<4>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]Si)(BC[6a]2Cl){4|C<3>}	C[3](P[3]C[6a]2C[3])(C[3]P[3]B)(SiC3){4|C<3>}	44.5642	0.000	1	44.5642	0.000	1	44.3832	0.066	2	44.3832	0.066	2	44.4181	0.371	6	44.4181	0.371	6
865	902	902	3:SP3_SP2_SP2	P[3]	C[3]	C[3]	3:3:4:4:	3:4:3:	3:4:4:	C[3]-3:C[3]-3:C-4:C-4:	C[6a]-3:P[3]-4:C[3]-3:	C[3]-3:P[3]-4:B-4:	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2	C[3](C[6a]C[6a]2)(P[3]C[3]CC)(C[3]P[3]B)	C[3](C[3]C[6a]P[3])(P[3]C[3]CC)(BC[6a]2Br)	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2{2|C<3>}	C[3](C[6a]C[6a]2)(P[3]C[3]CC)(C[3]P[3]B){2|C<3>,2|H<1>}	C[3](C[3]C[6a]P[3])(P[3]C[3]CC)(BC[6a]2Br){2|C<3>}	44.3689	0.000	1	44.3689	0.000	1	44.3689	0.000	1	44.3689	0.000	1	44.4181	0.371	6	44.4181	0.371	6
866	74	74	4:SP3_SP2_SP2	S[4]	N[4,6]	N[4,6]	3:3:	3:4:2:	3:4:2:	N[4,6]-3:N[4,6]-3:	C[4,6,6]-3:C[6]-4:S[4]-2:	C[4,6,6]-3:C[6]-4:S[4]-2:	S[4](N[4,6]C[4,6,6]C[6])2	N[4,6](C[4,6,6]N[4,6]N[6,6])(C[6]C[6]HH)(S[4]N[4,6])	N[4,6](C[4,6,6]N[4,6]N[6,6])(C[6]C[6]HH)(S[4]N[4,6])	S[4](N[4,6]C[4,6,6]C[6])2{1|N<3>,2|C<4>,4|H<1>}	N[4,6](C[4,6,6]N[4,6]N[6,6])(C[6]C[6]HH)(S[4]N[4,6]){2|H<1>,3|C<4>}	N[4,6](C[4,6,6]N[4,6]N[6,6])(C[6]C[6]HH)(S[4]N[4,6]){2|H<1>,3|C<4>}	71.5968	0.000	1	71.5968	0.000	1	71.5968	0.000	1	71.5968	0.000	1	71.5968	0.000	1	71.5968	0.000	1
866	478	478	4:SP3_SP3_SP3	S[4,6]	C[4,6,6]	C[4,6,6]	4:4:	4:4:2:4:	4:4:2:1:	C[4,6,6]-4:C[4,6,6]-4:	C[4,6]-4:C[6,6]-4:S[4,6]-2:C-4:	C[4,6]-4:C[6,6]-4:S[4,6]-2:H-1:	S[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H)	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(CH3)	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(H)	S[4,6](C[4,6,6]C[4,6]C[6,6]C)(C[4,6,6]C[4,6]C[6,6]H){1|C<4>,1|N<2>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(CH3){1|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(H){2|C<4>,2|H<1>}	73.6311	0.000	1	73.6311	0.000	1	73.6311	0.000	1	73.6311	0.000	1	73.6311	0.000	1	78.2846	9.573	18
866	478	478	4:SP3_SP3_SP3	S[4]	C[4,5]	C[4]	4:4:	4:3:2:1:	4:2:2:2:	C[4,5]-4:C[4]-4:	C[4,5]-4:C[5]-3:S[4]-2:H-1:	C[4,5]-4:S[4]-2:O-2:S-2:	S[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]OS)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]O)(S[4]C[4])(H)	C[4](C[4,5]C[4,5]C[5]H)(S[4]C[4,5])(OC[6a])(SC)	S[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]OS){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]O)(S[4]C[4])(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>}	C[4](C[4,5]C[4,5]C[5]H)(S[4]C[4,5])(OC[6a])(SC){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	77.6443	0.000	1	77.6443	0.000	1	77.6443	0.000	1	77.6443	0.000	1	77.6443	0.000	1	78.2846	9.573	18
866	478	478	4:SP3_SP3_SP3	S[4]	C[4,6,6]	C[4,6,6]	4:4:	4:4:2:2:	4:4:2:2:	C[4,6,6]-4:C[4,6,6]-4:	C[3x6]-4:C[3x6]-4:S[4]-2:S[4]-2:	C[3x6]-4:C[3x6]-4:S[4]-2:S[4]-2:	S[4](C[4,6,6]C[3x6]2S[4])2	C[4,6,6](C[3x6]C[6,6]2H)2(S[4]C[4,6,6])2	C[4,6,6](C[3x6]C[6,6]2H)2(S[4]C[4,6,6])2	S[4](C[4,6,6]C[3x6]2S[4])2{4|H<1>,8|C<4>}	C[4,6,6](C[3x6]C[6,6]2H)2(S[4]C[4,6,6])2{4|C<4>,8|H<1>}	C[4,6,6](C[3x6]C[6,6]2H)2(S[4]C[4,6,6])2{4|C<4>,8|H<1>}	85.7612	0.000	1	85.7612	0.000	1	85.7612	0.000	1	85.7612	0.000	1	85.7612	0.000	1	78.2846	9.573	18
866	478	478	4:SP3_SP3_SP3	S[4]	C[4]	C[4]	4:4:	2:2:1:1:	2:2:1:1:	C[4]-4:C[4]-4:	S[4]-2:S[4]-2:F-1:F-1:	S[4]-2:S[4]-2:F-1:F-1:	S[4](C[4]S[4]FF)2	C[4](S[4]C[4])2(F)2	C[4](S[4]C[4])2(F)2	S[4](C[4]S[4]FF)2	C[4](S[4]C[4])2(F)2{2|F<1>}	C[4](S[4]C[4])2(F)2{2|F<1>}	81.6460	0.000	1	81.6460	0.000	1	81.6460	0.000	1	81.6460	0.000	1	78.1391	6.033	15	78.2846	9.573	18
866	478	478	4:SP3_SP3_SP3	S[4]	C[4]	C[4]	4:4:	2:2:4:2:	2:2:4:2:	C[4]-4:C[4]-4:	S[4]-2:S[4]-2:C-4:S-2:	S[4]-2:S[4]-2:C-4:S-2:	S[4](C[4]S[4]CS)2	C[4](S[4]C[4])2(CCCH)(SC)	C[4](S[4]C[4])2(CCCH)(SC)	S[4](C[4]S[4]CS)2	C[4](S[4]C[4])2(CCCH)(SC){1|C<4>,1|S<2>}	C[4](S[4]C[4])2(CCCH)(SC){1|C<4>,1|S<2>}	85.4170	0.000	1	85.4170	0.000	1	85.4170	0.000	1	85.4170	0.000	1	78.1391	6.033	15	78.2846	9.573	18
866	478	478	4:SP3_SP3_SP3	S[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4,4]-4:S[4]-2:H-1:H-1:	C[4,4]-4:S[4]-2:H-1:H-1:	S[4](C[4]C[4,4]HH)2	C[4](C[4,4]C[4]3)(S[4]C[4])(H)2	C[4](C[4,4]C[4]3)(S[4]C[4])(H)2	S[4](C[4]C[4,4]HH)2{2|C<4>}	C[4](C[4,4]C[4]3)(S[4]C[4])(H)2{1|S<2>,6|H<1>}	C[4](C[4,4]C[4]3)(S[4]C[4])(H)2{1|S<2>,6|H<1>}	76.6489	0.839	2	76.6489	0.703	2	76.6489	0.703	2	77.3869	0.847	12	78.1391	6.033	15	78.2846	9.573	18
866	478	478	4:SP3_SP3_SP3	S[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:S[4]-2:H-1:H-1:	C[4]-4:S[4]-2:H-1:H-1:	S[4](C[4]C[4]HH)2	C[4](C[4]C[4]CN)(S[4]C[4])(H)2	C[4](C[4]C[4]CN)(S[4]C[4])(H)2	S[4](C[4]C[4]HH)2{1|C<3>,1|N<3>}	C[4](C[4]C[4]CN)(S[4]C[4])(H)2{2|H<1>}	C[4](C[4]C[4]CN)(S[4]C[4])(H)2{2|H<1>}	77.5345	0.901	10	77.5345	0.811	10	77.5345	0.811	10	77.3869	0.847	12	78.1391	6.033	15	78.2846	9.573	18
866	478	478	4:SP3_SP3_SP3	S[4]	C[4]	C[4]	4:4:	4:2:4:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4,5]-4:S[4]-2:C-4:H-1:	C[4,5]-4:S[4]-2:H-1:H-1:	S[4](C[4]C[4,5]CH)(C[4]C[4,5]HH)	C[4](C[4,5]C[4]C[5]O[5])(S[4]C[4])(CH3)(H)	C[4](C[4,5]C[4]C[5]O[5])(S[4]C[4])(H)2	S[4](C[4]C[4,5]CH)(C[4]C[4,5]HH){1|C<4>,1|O<2>}	C[4](C[4,5]C[4]C[5]O[5])(S[4]C[4])(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C[4](C[4,5]C[4]C[5]O[5])(S[4]C[4])(H)2{1|O<2>,2|H<1>,3|C<4>}	76.3804	0.000	1	76.3804	0.000	1	76.3804	0.000	1	76.3804	0.000	1	78.1391	6.033	15	78.2846	9.573	18
866	478	769	4:SP2_SP2_SP3	S[4]	C[4]	C[4,6a]	3:4:	3:2:3:1:	3:3:2:	C[4,6a]-3:C[4]-4:	N[4,6a]-3:S[4]-2:C-3:H-1:	N[4,6a]-3:C[6a]-3:S[4]-2:	S[4](C[4,6a]N[4,6a]C[6a])(C[4]N[4,6a]CH)	C[4](N[4,6a]C[6a,6a]C[4,6a])(S[4]C[4,6a])(COO)(H)	C[4,6a](N[4,6a]C[6a,6a]C[4])(C[6a]C[6a]C)(S[4]C[4])	S[4](C[4,6a]N[4,6a]C[6a])(C[4]N[4,6a]CH){3|C<3>}	C[4](N[4,6a]C[6a,6a]C[4,6a])(S[4]C[4,6a])(COO)(H){3|C<3>}	C[4,6a](N[4,6a]C[6a,6a]C[4])(C[6a]C[6a]C)(S[4]C[4]){1|H<1>,1|O<1>,3|C<3>}	73.5144	0.000	1	73.5144	0.000	1	73.5144	0.000	1	73.5144	0.000	1	73.5144	0.000	1	73.5144	0.000	1
866	478	846	4:SP2_SP2_SP3	S[4]	C[4]	C[4]	4:3:	2:2:1:1:	2:2:3:	C[4]-4:C[4]-3:	S[4]-2:S[4]-2:H-1:H-1:	S[4]-2:S[4]-2:C-3:	S[4](C[4]S[4]HH)(C[4]S[4]C)	C[4](S[4]C[4])2(H)2	C[4](S[4]C[4])2(CHN)	S[4](C[4]S[4]HH)(C[4]S[4]C)	C[4](S[4]C[4])2(H)2{1|C<3>}	C[4](S[4]C[4])2(CHN){2|H<1>}	82.8088	0.056	2	82.8088	0.003	2	82.8088	0.003	2	82.8088	0.003	2	79.0808	13.614	9	79.0808	13.614	9
866	478	846	4:SP2_SP2_SP3	S[4]	C[4]	C[4]	4:3:	3:2:1:1:	3:2:2:	C[4]-4:C[4]-3:	N[4]-3:S[4]-2:H-1:H-1:	N[4]-3:S[4]-2:N-2:	S[4](C[4]N[4]HH)(C[4]N[4]N)	C[4](N[4]C[4]C[6])(S[4]C[4])(H)2	C[4](N[4]C[4]C[6])(S[4]C[4])(NC[5a])	S[4](C[4]N[4]HH)(C[4]N[4]N){1|C<4>}	C[4](N[4]C[4]C[6])(S[4]C[4])(H)2{1|H<1>,1|N<2>,2|C<4>}	C[4](N[4]C[4]C[6])(S[4]C[4])(NC[5a]){2|C<4>,3|H<1>}	73.8493	0.093	2	73.8493	0.009	2	73.8493	0.009	2	73.8493	0.009	2	79.0808	13.614	9	79.0808	13.614	9
866	478	846	4:SP2_SP2_SP3	S[4]	C[4]	C[4]	4:3:	3:2:2:1:	2:2:3:	C[4]-4:C[4]-3:	C[6a]-3:S[4]-2:S[4]-2:H-1:	S[4]-2:S[4]-2:N-3:	S[4](C[4]C[6a]S[4]H)(C[4]S[4]N)	C[4](C[6a]C[6a]2)(S[4]C[4])2(H)	C[4](S[4]C[4])2(NCC)	S[4](C[4]C[6a]S[4]H)(C[4]S[4]N){2|C<3>}	C[4](C[6a]C[6a]2)(S[4]C[4])2(H){1|N<3>,2|C<3>,2|H<1>}	C[4](S[4]C[4])2(NCC){1|C<3>,1|H<1>}	82.3894	0.033	2	82.3894	0.001	2	82.3894	0.001	2	82.3894	0.001	2	79.0808	13.614	9	79.0808	13.614	9
866	478	846	4:SP2_SP2_SP3	S[4]	C[4]	C[4]	4:3:	4:2:1:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:S[4]-2:H-1:H-1:	C[4]-4:S[4]-2:O-1:	S[4](C[4]C[4]HH)(C[4]C[4]O)	C[4](C[4]C[4]HN)(S[4]C[4])(H)2	C[4](C[4]C[4]HN)(S[4]C[4])(O)	S[4](C[4]C[4]HH)(C[4]C[4]O){1|H<1>,1|N<3>}	C[4](C[4]C[4]HN)(S[4]C[4])(H)2{1|O<1>}	C[4](C[4]C[4]HN)(S[4]C[4])(O){2|H<1>}	77.6294	0.000	1	77.6294	0.000	1	77.6294	0.000	1	77.6294	0.000	1	79.0808	13.614	9	79.0808	13.614	9
866	478	846	4:SP2_SP2_SP3	S[4]	C[4]	C[4]	4:3:	4:2:3:3:	4:2:3:	C[4]-4:C[4]-3:	C[4]-4:S[4]-2:S-3:S-3:	C[4]-4:S[4]-2:C-3:	S[4](C[4]C[4]SS)(C[4]C[4]C)	C[4](C[4]C[4]CC)(S[4]C[4])(SFe2)2	C[4](C[4]C[4]CC)(S[4]C[4])(CCC)	S[4](C[4]C[4]SS)(C[4]C[4]C){2|C<4>}	C[4](C[4]C[4]CC)(S[4]C[4])(SFe2)2{1|C<3>}	C[4](C[4]C[4]CC)(S[4]C[4])(CCC){2|S<3>}	77.8644	0.000	1	77.8644	0.000	1	77.8644	0.000	1	77.8644	0.000	1	79.0808	13.614	9	79.0808	13.614	9
866	478	846	4:SP2_SP2_SP3	S[4]	C[4]	C[4]	4:3:	4:3:2:1:	3:2:3:	C[4]-4:C[4]-3:	C[6]-4:C[4]-3:S[4]-2:H-1:	C[4]-3:S[4]-2:C-3:	S[4](C[4]C[4]C[6]H)(C[4]C[4]C)	C[4](C[6]C[6]N[6]H)(C[4]C[4]O)(S[4]C[4])(H)	C[4](C[4]C[4]O)(S[4]C[4])(CC[6a]H)	S[4](C[4]C[4]C[6]H)(C[4]C[4]C){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[4](C[6]C[6]N[6]H)(C[4]C[4]O)(S[4]C[4])(H){1|N<2>,3|C<3>}	C[4](C[4]C[4]O)(S[4]C[4])(CC[6a]H){1|C<4>,1|H<1>}	78.1383	0.000	1	78.1383	0.000	1	78.1383	0.000	1	78.1383	0.000	1	79.0808	13.614	9	79.0808	13.614	9
866	566	846	4:SP2_SP2_SPD6	S[4]	Ga[3x4]	C[4]	6:3:	2:2:2:2:2:2:	2:2:2:	Ga[3x4]-6:C[4]-3:	S[4]-2:S[4]-2:S[4]-2:S[4]-2:S[4]-2:S[4]-2:	S[4]-2:S[4]-2:O-2:	S[4](Ga[3x4]S[4]5)(C[4]S[4]O)	Ga[3x4](S[4]C[4])6	C[4](S[4]Ga[3x4])2(OC)	S[4](Ga[3x4]S[4]5)(C[4]S[4]O){2|C<3>}	Ga[3x4](S[4]C[4])6{3|O<2>}	C[4](S[4]Ga[3x4])2(OC){4|S<2>}	82.9768	0.557	24	82.9768	0.311	24	82.9768	0.311	24	82.9768	0.311	24	82.9768	0.311	24	82.9768	0.311	24
866	722	846	4:SP2_SP2_SPD5	S[4]	Si[4,4]	C[4,6]	5:3:	3:3:3:2:2:	3:2:3:	Si[4,4]-5:C[4,6]-3:	N[4,6]-3:N[4,6]-3:C[6a]-3:S[4]-2:S[4]-2:	N[4,6]-3:S[4]-2:C[6]-3:	S[4](Si[4,4]N[4,6]2C[6a]S[4])(C[4,6]N[4,6]C[6])	Si[4,4](N[4,6]C[4,6]C[6])2(C[6a]C[6a]2)(S[4]C[4,6])2	C[4,6](N[4,6]Si[4,4]C[6])(S[4]Si[4,4])(C[6]C[6]H)	S[4](Si[4,4]N[4,6]2C[6a]S[4])(C[4,6]N[4,6]C[6]){1|H<1>,6|C<3>}	Si[4,4](N[4,6]C[4,6]C[6])2(C[6a]C[6a]2)(S[4]C[4,6])2{4|H<1>,6|C<3>}	C[4,6](N[4,6]Si[4,4]C[6])(S[4]Si[4,4])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	78.8793	0.000	1	78.8793	0.000	1	78.8793	0.000	1	78.8793	0.000	1	78.8793	0.000	1	78.3075	0.172	4
866	722	846	4:SP2_SP2_SPD5	S[4]	Si[4]	C[4,6]	5:3:	3:3:2:3:2:	3:3:2:	Si[4]-5:C[4,6]-3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N[4,6]-3:C[6]-3:S[4]-2:	S[4](Si[4]N[4,6]C[6a]N[6]N)(C[4,6]N[4,6]C[6])	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	C[4,6](N[4,6]Si[4]C[6])(C[6]C[6]H)(S[4]Si[4])	S[4](Si[4]N[4,6]C[6a]N[6]N)(C[4,6]N[4,6]C[6]){1|H<1>,6|C<3>}	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	C[4,6](N[4,6]Si[4]C[6])(C[6]C[6]H)(S[4]Si[4]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	78.0617	0.249	2	78.0617	0.062	2	78.1169	0.040	3	78.1169	0.040	3	78.1169	0.040	3	78.3075	0.172	4
866	722	846	4:SP2_SP2_SPD5	S[4]	Si[4]	C[4,6]	5:3:	3:3:2:3:2:	3:3:2:	Si[4]-5:C[4,6]-3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N[4,6]-3:C[6]-3:S[4]-2:	S[4](Si[4]N[4,6]C[6a]N[6]N)(C[4,6]N[4,6]C[6])	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN)	C[4,6](N[4,6]Si[4]C[6])(C[6]C[6]H)(S[4]Si[4])	S[4](Si[4]N[4,6]C[6a]N[6]N)(C[4,6]N[4,6]C[6]){1|H<1>,6|C<3>}	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN){1|S<1>,4|H<1>,6|C<3>}	C[4,6](N[4,6]Si[4]C[6])(C[6]C[6]H)(S[4]Si[4]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	78.2273	0.000	1	78.2273	0.000	1	78.1169	0.040	3	78.1169	0.040	3	78.1169	0.040	3	78.3075	0.172	4
866	742	742	4:SP3_SP3_SP3	S[4]	B[4]	B[4]	4:4:	3:2:2:2:	3:2:2:2:	B[4]-4:B[4]-4:	C[5]-3:S[4]-2:S[4]-2:C-2:	C[5]-3:S[4]-2:S[4]-2: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)	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN)	S[4](B[4]C[5]S[4]C)2{2|C<4>,2|N<3>}	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	85.2324	0.000	1	85.2324	0.000	1	85.2324	0.000	1	85.2324	0.000	1	85.3821	0.045	2	85.3821	0.045	2
866	742	742	4:SP3_SP3_SP3	S[4]	B[4]	B[4]	4:4:	3:2:2:4:	3:2:2:4:	B[4]-4:B[4]-4:	C[5]-3:S[4]-2:S[4]-2:C-4:	C[5]-3:S[4]-2:S[4]-2:C-4:	S[4](B[4]C[5]S[4]C)2	B[4](C[5]N[5]2)(S[4]B[4])2(CC3)	B[4](C[5]N[5]2)(S[4]B[4])2(CC3)	S[4](B[4]C[5]S[4]C)2{4|N<3>}	B[4](C[5]N[5]2)(S[4]B[4])2(CC3){3|C<3>,3|C<4>}	B[4](C[5]N[5]2)(S[4]B[4])2(CC3){3|C<3>,3|C<4>}	85.5318	0.000	1	85.5318	0.000	1	85.5318	0.000	1	85.5318	0.000	1	85.3821	0.045	2	85.3821	0.045	2
866	742	846	4:SP2_SP2_SP3	S[4]	B[4]	C[4]	4:3:	3:3:3:2:	3:2:1:	B[4]-4:C[4]-3:	N[4]-3:C[6a]-3:C[6a]-3:S[4]-2:	N[4]-3:S[4]-2:H-1:	S[4](B[4]C[6a]2N[4])(C[4]N[4]H)	B[4](N[4]C[3x6]C[4])(C[6a]C[6a]2)2(S[4]C[4])	C[4](N[4]C[3x6]B[4])(S[4]B[4])(H)	S[4](B[4]C[6a]2N[4])(C[4]N[4]H){1|C<4>,4|C<3>}	B[4](N[4]C[3x6]C[4])(C[6a]C[6a]2)2(S[4]C[4]){1|H<1>,3|C<4>,4|C<3>,4|F<1>}	C[4](N[4]C[3x6]B[4])(S[4]B[4])(H){2|C<3>,3|C<4>}	70.1471	0.000	1	70.1471	0.000	1	70.1471	0.000	1	70.1471	0.000	1	70.1471	0.000	1	70.1471	0.000	1
866	846	866	4:SP2_SP2_SP2	S[4]	C[4]	S[4]	3:2:	3:2:2:	2:2:	C[4]-3:S[4]-2:	C[5a]-3:S[4]-2:S[4]-2:	S[4]-2:S[4]-2:	S[4](C[4]C[5a]S[4])(S[4]S[4])	C[4](C[5a]N[5a]S[5a])(S[4]S[4])2	S[4](S[4]C[4])2	S[4](C[4]C[5a]S[4])(S[4]S[4]){1|N<3>,1|S<2>}	C[4](C[5a]N[5a]S[5a])(S[4]S[4])2{1|N<2>,2|C<3>}	S[4](S[4]C[4])2{1|C<3>}	85.0524	0.345	2	85.0524	0.119	2	85.0524	0.119	2	85.0524	0.119	2	85.0524	0.119	2	85.0524	0.119	2
866	846	878	4:SP2_SP-NON_SP2	S[4]	C[4]	Ga[4]	3:4:	3:2:2:	2:2:2:2:	C[4]-3:Ga[4]-4:	C[5]-3:S[4]-2:S[4]-2:	S[4]-2:S[4]-2:S-2:S-2:	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS)	C[4](C[5]C[5]2)(S[4]Ga[4])2	Ga[4](S[4]C[4])2(SC)2	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS){1|C<3>,1|C<4>}	C[4](C[5]C[5]2)(S[4]Ga[4])2{1|N<3>,2|C<4>,2|H<1>,2|S<2>}	Ga[4](S[4]C[4])2(SC)2{1|C<3>}	86.1509	4.002	2	86.1509	16.016	2	86.1509	16.016	2	86.1509	16.016	2	84.7023	5.684	6	84.7023	5.684	6
866	846	878	4:SP2_SP-NON_SP2	S[4]	C[4]	Ga[4]	3:4:	3:2:2:	2:2:3:2:	C[4]-3:Ga[4]-4:	C[5]-3:S[4]-2:S[4]-2:	S[4]-2:S[4]-2:S-3:S-2:	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS)	C[4](C[5]C[5]2)(S[4]Ga[4])2	Ga[4](S[4]C[4])2(SCuC)(SC)	S[4](C[4]C[5]S[4])(Ga[4]S[4]SS){1|C<3>,1|C<4>}	C[4](C[5]C[5]2)(S[4]Ga[4])2{1|N<3>,1|S<2>,1|S<3>,2|C<4>,2|H<1>}	Ga[4](S[4]C[4])2(SCuC)(SC){1|C<3>}	85.2054	0.283	2	85.2054	0.080	2	85.2054	0.080	2	85.2054	0.080	2	84.7023	5.684	6	84.7023	5.684	6
866	846	878	4:SP2_SP-NON_SP2	S[4]	C[4]	Ga[4]	4:3:	2:2:2:	2:2:2:2:	Ga[4]-4:C[4]-3:	S[4]-2:S[4]-2:O-2:	S[4]-2:S[4]-2:S-2:S-2:	S[4](Ga[4]S[4]SS)(C[4]S[4]O)	C[4](S[4]Ga[4])2(OC)	Ga[4](S[4]C[4])2(SC)2	S[4](Ga[4]S[4]SS)(C[4]S[4]O)	C[4](S[4]Ga[4])2(OC){2|S<2>}	Ga[4](S[4]C[4])2(SC)2{1|O<2>}	82.7506	0.067	2	82.7506	0.004	2	82.7506	0.004	2	82.7506	0.004	2	84.7023	5.684	6	84.7023	5.684	6
866	846	907	4:SP2_SP2_SP3	S[4]	C[4]	Ge[4]	4:3:	2:2:3:	2:2:4:4:	Ge[4]-4:C[4]-3:	S[4]-2:S[4]-2:C-3:	S[4]-2:S[4]-2:C-4:C-4:	S[4](Ge[4]S[4]CC)(C[4]S[4]C)	C[4](S[4]Ge[4])2(CCC)	Ge[4](S[4]C[4])2(CH3)2	S[4](Ge[4]S[4]CC)(C[4]S[4]C)	C[4](S[4]Ge[4])2(CCC){2|C<4>}	Ge[4](S[4]C[4])2(CH3)2{1|C<3>}	83.4458	0.000	1	83.4458	0.000	1	83.4458	0.000	1	83.4458	0.000	1	83.4458	0.000	1	83.4458	0.000	1
866	846	949	4:SP2_SP2_SP3	S[4]	C[4]	Se[4]	3:2:	2:2:3:	2:2:	C[4]-3:Se[4]-2:	S[4]-2:S[4]-2:N-3:	S[4]-2:S[4]-2:	S[4](C[4]S[4]N)(Se[4]S[4])	C[4](S[4]Se[4])2(NCC)	Se[4](S[4]C[4])2	S[4](C[4]S[4]N)(Se[4]S[4])	C[4](S[4]Se[4])2(NCC)	Se[4](S[4]C[4])2{1|N<3>}	86.1487	0.551	2	86.1487	0.303	2	86.1487	0.303	2	86.1487	0.303	2	86.1487	0.303	2	86.1487	0.303	2
866	846	964	4:SP2_SP2_SPD6	S[4]	C[4,6]	Si[4,4]	6:3:	3:2:3:	3:3:2:2:1:1:	Si[4,4]-6:C[4,6]-3:	N[4,6]-3:S[4]-2:C[6]-3:	N[4,6]-3:N[4,6]-3:S[4]-2:S[4]-2:Cl-1:Cl-1:	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6])	C[4,6](N[4,6]Si[4,4]C[6])(S[4]Si[4,4])(C[6]C[6]H)	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6]){1|H<1>,4|C<3>}	C[4,6](N[4,6]Si[4,4]C[6])(S[4]Si[4,4])(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2{2|H<1>,4|C<3>}	78.7837	0.112	2	78.7837	0.013	2	78.7837	0.013	2	78.7837	0.013	2	78.7837	0.013	2	82.6705	9.837	6
866	846	964	4:SP2_SP2_SPD6	S[4]	C[4]	Si[4,4]	6:3:	2:2:3:	2:2:2:2:1:1:	Si[4,4]-6:C[4]-3:	S[4]-2:S[4]-2:N-3:	S[4]-2:S[4]-2:S[4]-2:S[4]-2:Cl-1:Cl-1:	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N)	C[4](S[4]Si[4,4])2(NC[6a]2)	Si[4,4](S[4]C[4])4(Cl)2	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N){1|C<3>}	C[4](S[4]Si[4,4])2(NC[6a]2){2|Cl<1>,2|S<2>}	Si[4,4](S[4]C[4])4(Cl)2{2|N<3>}	84.6139	1.133	4	84.6139	1.284	4	84.6139	1.284	4	84.6139	1.284	4	84.6139	1.284	4	82.6705	9.837	6
866	846	996	4:SP2_SP2_SP3	S[4]	C[4]	Si[4,5]	4:3:	2:2:2:	4:4:2:2:	Si[4,5]-4:C[4]-3:	S[4]-2:S[4]-2:N-2:	C[5]-4:C[5]-4:S[4]-2:S[4]-2:	S[4](Si[4,5]C[5]2S[4])(C[4]S[4]N)	C[4](S[4]Si[4,5])2(NC[6a])	Si[4,5](C[5]C[5]Si2)2(S[4]C[4])2	S[4](Si[4,5]C[5]2S[4])(C[4]S[4]N){4|Si<4>,2|C<4>}	C[4](S[4]Si[4,5])2(NC[6a]){2|C<4>}	Si[4,5](C[5]C[5]Si2)2(S[4]C[4])2{1|N<2>,4|H<1>}	83.0581	0.185	2	83.0581	0.034	2	83.0581	0.034	2	83.0581	0.034	2	83.0581	0.034	2	83.0581	0.034	2
866	866	866	4:SP2_SP2_SP2	S[4]	S[4]	S[4]	2:2:	3:2:	3:2:	S[4]-2:S[4]-2:	C[4]-3:S[4]-2:	C[4]-3:S[4]-2:	S[4](S[4]C[4])2	S[4](C[4]C[5a]S[4])(S[4]S[4])	S[4](C[4]C[5a]S[4])(S[4]S[4])	S[4](S[4]C[4])2{1|C<3>}	S[4](C[4]C[5a]S[4])(S[4]S[4]){1|N<3>,1|S<2>}	S[4](C[4]C[5a]S[4])(S[4]S[4]){1|N<3>,1|S<2>}	82.8616	0.000	1	82.8616	0.000	1	82.8616	0.000	1	82.8616	0.000	1	82.8616	0.000	1	82.8616	0.000	1
866	878	878	4:SP3_SP-NON_SP-NON	S[4]	Ga[4,6]	Ga[4,6]	4:4:	3:3:2:2:	3:3:2:2:	Ga[4,6]-4:Ga[4,6]-4:	N[6]-3:N[6]-3:S[4]-2:S[4]-2:	N[6]-3:N[6]-3:S[4]-2:S[4]-2:	S[4](Ga[4,6]N[6]2S[4])2	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2	S[4](Ga[4,6]N[6]2S[4])2{8|C<3>}	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2{2|C<4>,2|N<3>,5|C<3>}	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2{2|C<4>,2|N<3>,5|C<3>}	83.4917	0.000	1	83.4917	0.000	1	83.4917	0.000	1	83.4917	0.000	1	83.4917	0.000	1	83.4917	0.000	1
866	907	907	4:SP3_SP3_SP3	S[4]	Ge[4]	Ge[4]	4:4:	2:2:1:1:	2:2:1:1:	Ge[4]-4:Ge[4]-4:	S[4]-2:S[4]-2:S-1:S-1:	S[4]-2:S[4]-2:S-1:S-1:	S[4](Ge[4]S[4]SS)2	Ge[4](S[4]Ge[4])2(S)2	Ge[4](S[4]Ge[4])2(S)2	S[4](Ge[4]S[4]SS)2	Ge[4](S[4]Ge[4])2(S)2{2|S<1>}	Ge[4](S[4]Ge[4])2(S)2{2|S<1>}	87.1158	1.054	12	87.1158	1.111	12	87.1158	1.111	12	87.1158	1.111	12	85.8627	8.508	15	85.8627	8.508	15
866	907	907	4:SP3_SP3_SP3	S[4]	Ge[4]	Ge[4]	4:4:	2:2:4:1:	2:2:4:1:	Ge[4]-4:Ge[4]-4:	S[4]-2:S[4]-2:C-4:Cl-1:	S[4]-2:S[4]-2:C-4:Cl-1:	S[4](Ge[4]S[4]ClC)2	Ge[4](S[4]Ge[4])2(CHPP)(Cl)	Ge[4](S[4]Ge[4])2(CHPP)(Cl)	S[4](Ge[4]S[4]ClC)2	Ge[4](S[4]Ge[4])2(CHPP)(Cl){1|Cl<1>,1|C<4>}	Ge[4](S[4]Ge[4])2(CHPP)(Cl){1|Cl<1>,1|C<4>}	83.7455	0.000	1	83.7455	0.000	1	83.7455	0.000	1	83.7455	0.000	1	85.8627	8.508	15	85.8627	8.508	15
866	907	907	4:SP3_SP3_SP3	S[4]	Ge[4]	Ge[4]	4:4:	3:2:2:2:	3:2:2:2:	Ge[4]-4:Ge[4]-4:	C[6a]-3:S[4]-2:S[4]-2:S-2:	C[6a]-3:S[4]-2:S[4]-2:S-2:	S[4](Ge[4]C[6a]S[4]S)2	Ge[4](C[6a]C[6a]2)(S[4]Ge[4])2(SNi)	Ge[4](C[6a]C[6a]2)(S[4]Ge[4])2(SNi)	S[4](Ge[4]C[6a]S[4]S)2{4|C<3>}	Ge[4](C[6a]C[6a]2)(S[4]Ge[4])2(SNi){1|S<2>,5|C<3>}	Ge[4](C[6a]C[6a]2)(S[4]Ge[4])2(SNi){1|S<2>,5|C<3>}	79.4028	0.310	2	79.4028	0.096	2	79.4028	0.096	2	79.4028	0.096	2	85.8627	8.508	15	85.8627	8.508	15
866	917	917	4:SP3_SP3_SP3	S[4,6]	P[4,5,6,6]	P[4,5,6,6]	4:4:	4:2:2:1:	4:2:2:1:	P[4,5,6,6]-4:P[4,5,6,6]-4:	C[4,5,5,6]-4:S[5,6,6]-2:S[4,6]-2:S-1:	C[4,5,5,6]-4:S[5,6,6]-2:S[4,6]-2:S-1:	S[4,6](P[4,5,6,6]C[4,5,5,6]S[5,6,6]S)2	P[4,5,6,6](C[4,5,5,6]P[4,5,6,6]C[5,5]C[6a])(S[5,6,6]C[5,5,6,6])(S[4,6]P[4,5,6,6])(S)	P[4,5,6,6](C[4,5,5,6]P[4,5,6,6]C[5,5]C[6a])(S[5,6,6]C[5,5,6,6])(S[4,6]P[4,5,6,6])(S)	S[4,6](P[4,5,6,6]C[4,5,5,6]S[5,6,6]S)2{1|C<3>,2|C<4>}	P[4,5,6,6](C[4,5,5,6]P[4,5,6,6]C[5,5]C[6a])(S[5,6,6]C[5,5,6,6])(S[4,6]P[4,5,6,6])(S){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	P[4,5,6,6](C[4,5,5,6]P[4,5,6,6]C[5,5]C[6a])(S[5,6,6]C[5,5,6,6])(S[4,6]P[4,5,6,6])(S){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	80.0005	0.000	1	80.0005	0.000	1	80.0005	0.000	1	80.0005	0.000	1	80.0005	0.000	1	81.6164	12.568	3
866	917	917	4:SP3_SP3_SP3	S[4]	P[4]	P[4]	4:4:	2:2:4:1:	2:2:4:1:	P[4]-4:P[4]-4:	S[4]-2:S[4]-2:C-4:S-1:	S[4]-2:S[4]-2:C-4:S-1:	S[4](P[4]S[4]CS)2	P[4](S[4]P[4])2(CC3)(S)	P[4](S[4]P[4])2(CC3)(S)	S[4](P[4]S[4]CS)2	P[4](S[4]P[4])2(CC3)(S){1|C<4>,1|S<1>}	P[4](S[4]P[4])2(CC3)(S){1|C<4>,1|S<1>}	85.6817	0.000	1	85.6817	0.000	1	85.6817	0.000	1	85.6817	0.000	1	82.4244	21.220	2	81.6164	12.568	3
866	917	917	4:SP3_SP3_SP3	S[4]	P[4]	P[4]	4:4:	3:3:2:1:	3:3:2:1:	P[4]-4:P[4]-4:	N[4]-3:C[6a]-3:S[4]-2:S-1:	N[4]-3:C[6a]-3:S[4]-2:S-1:	S[4](P[4]C[6a]N[4]S)2	P[4](N[4]C[6a]P[4])(C[6a]C[6a]2)(S[4]P[4])(S)	P[4](N[4]C[6a]P[4])(C[6a]C[6a]2)(S[4]P[4])(S)	S[4](P[4]C[6a]N[4]S)2{5|C<3>}	P[4](N[4]C[6a]P[4])(C[6a]C[6a]2)(S[4]P[4])(S){1|S<1>,2|H<1>,5|C<3>}	P[4](N[4]C[6a]P[4])(C[6a]C[6a]2)(S[4]P[4])(S){1|S<1>,2|H<1>,5|C<3>}	79.1671	0.000	1	79.1671	0.000	1	79.1671	0.000	1	79.1671	0.000	1	82.4244	21.220	2	81.6164	12.568	3
866	917	917	6:SP3_SP3_SP3	S[4,6]	P[4,6,6]	P[4,6,6]	4:4:	3:3:2:1:	3:3:2:1:	P[4,6,6]-4:P[4,6,6]-4:	C[6,6,6a]-3:N[4,6]-3:S[4,6]-2:S-1:	C[6,6,6a]-3:N[4,6]-3:S[4,6]-2:S-1:	S[4,6](P[4,6,6]C[6,6,6a]N[4,6]S)2	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S)	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S)	S[4,6](P[4,6,6]C[6,6,6a]N[4,6]S)2{1|Si<4>,3|C<3>}	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S){1|H<1>,1|S<1>,3|C<3>}	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S){1|H<1>,1|S<1>,3|C<3>}	73.5257	0.049	3	73.5257	0.002	3	73.5257	0.002	3	73.5257	0.002	3	73.5257	0.002	3	73.5257	0.002	3
867	74	74	4:SP2_SP2_SP3	Se[4]	N[4]	N[4]	3:3:1:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:O-1:	Se[4]-3:Se[4]-3:C-4:	Se[4]-3:Se[4]-3:C-4:	Se[4](N[4]Se[4]C)2(O)	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	Se[4](N[4]Se[4]C)2(O){1|N<2>}	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	80.6297	0.000	1	80.6297	0.000	1	80.6297	0.000	1	80.6297	0.000	1	78.8312	6.469	2	78.8312	6.469	2
867	74	74	4:SP2_SP2_SP3	Se[4]	N[4]	N[4]	3:3:2:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:N-2:	Se[4]-3:Se[4]-3:C-4:	Se[4]-3:Se[4]-3:C-4:	Se[4](N[4]Se[4]C)2(NC)	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	Se[4](N[4]Se[4]C)2(NC){1|O<1>}	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	77.0327	0.000	1	77.0327	0.000	1	77.0327	0.000	1	77.0327	0.000	1	78.8312	6.469	2	78.8312	6.469	2
867	74	74	4:SP2_SP3_SP3	Se[4]	N[4]	N[4]	3:3:2:	4:3:4:	4:3:4:	N[4]-3:N[4]-3:N-2:	S[4]-4:Se[4]-3:C-4:	S[4]-4:Se[4]-3:C-4:	Se[4](N[4]S[4]C)2(NC)	N[4](S[4]N[4]OO)(Se[4]N[4]N)(CC3)	N[4](S[4]N[4]OO)(Se[4]N[4]N)(CC3)	Se[4](N[4]S[4]C)2(NC){2|O<1>}	N[4](S[4]N[4]OO)(Se[4]N[4]N)(CC3){1|C<4>}	N[4](S[4]N[4]OO)(Se[4]N[4]N)(CC3){1|C<4>}	73.2932	0.158	2	73.2932	0.025	2	73.2932	0.025	2	73.2932	0.025	2	73.2932	0.025	2	73.2932	0.025	2
867	74	863	0:SP2_SP2_SP2	Se[4]	N[4]	O	3:3:1:	3:3:4:	3:	N[4]-3:N[4]-3:O-1:	Se[4]-3:Se[4]-3:C-4:	Se[4]-3:	Se[4](N[4]Se[4]C)2(O)	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	O(Se[4]N[4]2)	Se[4](N[4]Se[4]C)2(O){1|N<2>}	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	O(Se[4]N[4]2)	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1	105.0910	0.000	1
867	74	863	0:SP2_SP2_SP3	Se[4]	N[4]	O	3:3:1:	3:3:4:	3:	N[4]-3:N[4]-3:O-1:	Se[4]-3:Se[4]-3:C-4:	Se[4]-3:	Se[4](N[4]Se[4]C)2(O)	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	O(Se[4]N[4]2)	Se[4](N[4]Se[4]C)2(O){1|N<2>}	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	O(Se[4]N[4]2)	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1
867	74	941	0:SP2_SP2_SP2	Se[4]	N[4]	N	3:3:2:	3:3:4:	3:4:	N[4]-3:N[4]-3:N-2:	Se[4]-3:Se[4]-3:C-4:	Se[4]-3:C-4:	Se[4](N[4]Se[4]C)2(NC)	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	N(Se[4]N[4]2)(CC3)	Se[4](N[4]Se[4]C)2(NC){1|O<1>}	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	N(Se[4]N[4]2)(CC3)	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1
867	74	941	0:SP2_SP2_SP3	Se[4]	N[4]	N	3:3:2:	3:3:4:	3:4:	N[4]-3:N[4]-3:N-2:	Se[4]-3:Se[4]-3:C-4:	Se[4]-3:C-4:	Se[4](N[4]Se[4]C)2(NC)	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	N(Se[4]N[4]2)(CC3)	Se[4](N[4]Se[4]C)2(NC){1|O<1>}	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	N(Se[4]N[4]2)(CC3)	113.0340	0.000	1	113.0340	0.000	1	113.0340	0.000	1	113.0340	0.000	1	113.2470	0.346	5	113.2470	0.346	5
867	74	941	0:SP2_SP2_SP3	Se[4]	N[4]	N	3:3:2:	4:3:4:	3:4:	N[4]-3:N[4]-3:N-2:	S[4]-4:Se[4]-3:C-4:	Se[4]-3:C-4:	Se[4](N[4]S[4]C)2(NC)	N[4](S[4]N[4]OO)(Se[4]N[4]N)(CC3)	N(Se[4]N[4]2)(CC3)	Se[4](N[4]S[4]C)2(NC){2|O<1>}	N[4](S[4]N[4]OO)(Se[4]N[4]N)(CC3){1|C<4>}	N(Se[4]N[4]2)(CC3)	113.3003	0.665	4	113.3003	0.442	4	113.3003	0.442	4	113.3003	0.442	4	113.2470	0.346	5	113.2470	0.346	5
867	478	478	4:SP2_SP3_SP3	Se[4]	C[4]	C[4]	4:4:1:	3:3:3:4:	3:3:3:4:	C[4]-4:C[4]-4:O-1:	C[6a]-3:Se[4]-3:Se[4]-3:C-4:	C[6a]-3:Se[4]-3:Se[4]-3:C-4:	Se[4](C[4]C[6a]Se[4]C)2(O)	C[4](C[6a]C[6a]2)(Se[4]C[4]O)2(CC3)	C[4](C[6a]C[6a]2)(Se[4]C[4]O)2(CC3)	Se[4](C[4]C[6a]Se[4]C)2(O){1|O<1>,4|C<3>}	C[4](C[6a]C[6a]2)(Se[4]C[4]O)2(CC3){1|C<4>,2|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(Se[4]C[4]O)2(CC3){1|C<4>,2|H<1>,3|C<3>}	83.3084	0.961	2	83.3084	0.924	2	83.3084	0.924	2	83.3084	0.924	2	83.3084	0.924	2	83.3084	0.924	2
867	478	863	0:SP2_SP2_SP3	Se[4]	C[4]	O	4:4:1:	3:3:3:4:	3:	C[4]-4:C[4]-4:O-1:	C[6a]-3:Se[4]-3:Se[4]-3:C-4:	Se[4]-3:	Se[4](C[4]C[6a]Se[4]C)2(O)	C[4](C[6a]C[6a]2)(Se[4]C[4]O)2(CC3)	O(Se[4]C[4]2)	Se[4](C[4]C[6a]Se[4]C)2(O){1|O<1>,4|C<3>}	C[4](C[6a]C[6a]2)(Se[4]C[4]O)2(CC3){1|C<4>,2|H<1>,3|C<3>}	O(Se[4]C[4]2)	108.8237	4.968	4	108.8237	24.685	4	108.8237	24.685	4	108.8237	24.685	4	108.8237	24.685	4	108.8237	24.685	4
868	863	863	0:SPD5_SP2_SP2	Cl	O	O	1:1:1:1:1:	5:	5:	O-1:O-1:O-1:O-1:O-1:	Cl-5:	Cl-5:	Cl(O)5	O(ClO4)	O(ClO4)	Cl(O)5	O(ClO4)	O(ClO4)	107.2871	27.466	10	107.2871	754.380	10	107.2871	754.380	10	107.2871	754.380	10	107.2871	754.380	10	107.2871	754.380	10
869	486	818	0:SP2_SP2_SP3	Si[3]	C[3]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	C[3]-4:P[3]-3:C[5]-3:	Si[3]-3:P[3]-3:Si-3:C-4:	Si[3]-3:N[5]-3:N[5]-3:	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2)	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3)	C[5](Si[3]C[3]P[3])(N[5]C[5]C)2	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2){2|C<3>,2|C<4>}	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3){2|N<3>}	C[5](Si[3]C[3]P[3])(N[5]C[5]C)2{2|Si<3>,3|C<4>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1
869	486	852	3:SP2_SP3_SP3	Si[3]	C[3]	P[3]	4:3:3:	3:3:3:4:	3:4:3:	C[3]-4:P[3]-3:C[5]-3:	Si[3]-3:P[3]-3:Si-3:C-4:	Si[3]-3:C[3]-4:Si-3:	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2)	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3)	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2)	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2){2|C<3>,2|C<4>}	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3){2|N<3>}	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2){2|N<3>}	53.3352	0.000	1	53.3352	0.000	1	53.3352	0.000	1	53.3352	0.000	1	53.3352	0.000	1	53.3352	0.000	1