490	490	730	0:SP3_SP2_SP3	C	C	As	3:4:1:1:	3:4:1:1:	3:3:4:	As-3:C-4:H-1:H-1:	As-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(AsC[6a]2)(CAsHH)(H)2	C(AsC[6a]2)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)	C(AsC[6a]2)(CAsHH)(H)2	C(AsC[6a]2)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.6635	0.800	2	110.6635	0.800	2
490	490	730	0:SP3_SP2_SP3	C	C	As	3:4:1:1:	4:4:1:1:	3:3:4:	As-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(AsC[6a]2)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	As(C[6a]C[6a]2)2(CCHH)	C(AsC[6a]2)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	As(C[6a]C[6a]2)2(CCHH)	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	110.6635	0.800	2	110.6635	0.800	2
490	490	742	0:SP3_SP3_SP3	C	C	B[3x4]	4:4:4:4:	4:1:1:1:	4:4:2:4:	B[3x4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,4]-4:P[4,4]-4:Se[4,4]-2:C-4:	C(B[3x4]Se[4,4]P[4,4]2)(CH3)3	C(CB[3x4]CC)(H)3	B[3x4](P[4,4]B[3x4]CC)2(Se[4,4]B[3x4])(CC3)	C(B[3x4]Se[4,4]P[4,4]2)(CH3)3	C(CB[3x4]CC)(H)3	B[3x4](P[4,4]B[3x4]CC)2(Se[4,4]B[3x4])(CC3){1|C<4>}	111.0348	0.258	6	111.0348	0.066	6	111.0348	0.066	6	111.0348	0.066	6	111.0348	0.066	6	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:1:1:	4:4:4:1:	4:4:4:2:	B[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	P[4]-4:P[4]-4:C-4:O-2:	C(B[4]P[4]2O)(CCCH)(H)2	C(CB[4]HH)(CH3)2(H)	B[4](P[4]B[4]CC)2(CCHH)(OS)	C(B[4]P[4]2O)(CCCH)(H)2	C(CB[4]HH)(CH3)2(H)	B[4](P[4]B[4]CC)2(CCHH)(OS){1|C<4>,1|H<1>}	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	3:2:2:4:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:S[4]-2:S[4]-2:C-4:	C(B[4]C[5]S[4]2)(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(S[4]B[4])2(CC3)	C(B[4]C[5]S[4]2)(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(S[4]B[4])2(CC3){3|C<3>,3|C<4>}	111.0983	1.377	3	111.0983	1.896	3	111.0983	1.896	3	111.2412	0.973	15	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	3:2:2:4:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){1|C<2>,2|C<4>,3|C<3>}	111.2017	1.261	3	111.2769	0.886	12	111.2769	0.886	12	111.2412	0.973	15	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	3:2:2:4:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){1|N<3>,2|C<3>,2|C<4>}	111.6590	1.096	3	111.2769	0.886	12	111.2769	0.886	12	111.2412	0.973	15	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	3:2:2:4:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){2|C<4>,3|C<3>}	110.9997	1.189	3	111.2769	0.886	12	111.2769	0.886	12	111.2412	0.973	15	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	3:2:2:4:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){3|C<3>,3|C<4>}	111.2473	0.570	3	111.2769	0.886	12	111.2769	0.886	12	111.2412	0.973	15	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-4:C-4:Br-1:	C(B[4]P[4]2Br)(CH3)3	C(CB[4]CC)(H)3	B[4](P[4]B[4]CC)2(CC3)(Br)	C(B[4]P[4]2Br)(CH3)3	C(CB[4]CC)(H)3	B[4](P[4]B[4]CC)2(CC3)(Br){1|Br<1>,1|C<4>}	110.9003	0.811	3	110.9003	0.658	3	110.9003	0.658	3	111.5442	6.726	15	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-4:C-4:Cl-1:	C(B[4]P[4]2Cl)(CH3)3	C(CB[4]CC)(H)3	B[4](P[4]B[4]CC)2(CC3)(Cl)	C(B[4]P[4]2Cl)(CH3)3	C(CB[4]CC)(H)3	B[4](P[4]B[4]CC)2(CC3)(Cl){1|Cl<1>,1|C<4>}	111.9080	2.721	6	111.9080	7.403	6	111.9080	7.403	6	111.5442	6.726	15	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-4:C-4:H-1:	C(B[4]P[4]2H)(CH3)3	C(CB[4]CC)(H)3	B[4](P[4]B[4]CC)2(CC3)(H)	C(B[4]P[4]2H)(CH3)3	C(CB[4]CC)(H)3	B[4](P[4]B[4]CC)2(CC3)(H){1|C<4>,1|O<2>}	111.5110	3.968	3	111.5023	10.757	6	111.5023	10.757	6	111.5442	6.726	15	111.7122	6.780	31	111.6024	5.723	37
490	490	742	0:SP3_SP3_SP3	C	C	B[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-4:C-4:H-1:	C(B[4]P[4]2H)(CH3)3	C(CB[4]CC)(H)3	B[4](P[4]B[4]CC)2(CC3)(H)	C(B[4]P[4]2H)(CH3)3	C(CB[4]CC)(H)3	B[4](P[4]B[4]CC)2(CC3)(H){1|Sn<4>,1|C<4>}	111.4937	3.339	3	111.5023	10.757	6	111.5023	10.757	6	111.5442	6.726	15	111.7122	6.780	31	111.6024	5.723	37
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:3:4:1:	4:3:3:1:	4:3:4:	C[6,6]-3:C[5]-3:C-4:H-1:	C-4:N[5]-3:N[5]-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH){3|C<4>,4|H<1>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	112.4760	0.000	1	112.4760	0.000	1	112.4760	0.000	1	114.0580	5.005	2	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[4,4x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH)	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH){1|C<2>,2|H<1>,3|C<4>}	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	114.0580	5.005	2	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	113.1445	0.500	6	112.9917	0.379	10	113.6201	1.260	15	113.6393	1.182	16	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	112.7625	0.777	4	112.9917	0.379	10	113.6201	1.260	15	113.6393	1.182	16	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	114.7750	1.362	2	114.7750	1.855	2	113.6201	1.260	15	113.6393	1.182	16	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){1|C<3>,1|H<1>,4|C<4>}	114.4310	0.000	1	114.9447	0.251	3	113.6201	1.260	15	113.6393	1.182	16	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){2|C<3>,2|H<1>,3|C<4>}	115.2015	0.325	2	114.9447	0.251	3	113.6201	1.260	15	113.6393	1.182	16	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH)	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH){2|C<2>,3|H<1>,5|C<4>}	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	113.6393	1.182	16	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C(CC[6,6]HH)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C(CC[6,6]HH)(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH){1|H<1>,2|C<2>,4|C<4>}	114.7780	0.000	1	114.7780	0.000	1	114.7780	0.000	1	114.7780	0.000	1	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:1:1:	4:4:4:4:	4:3:4:	C[6,6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C(CC[6,6]HH)(CH3)3	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C(CC[6,6]HH)(CH3)3	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	117.3157	0.088	3	117.3157	0.008	3	117.3157	0.008	3	117.3157	0.008	3	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:2:1:	3:4:2:1:	4:3:4:	C[6,6]-3:C-4:N-2:H-1:	C[6,6]-3:C-4:N-2:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){3|C<4>,4|H<1>}	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:2:1:	4:1:1:1:	3:4:4:	C[6,6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO)	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO){3|C<4>,3|H<1>}	112.8210	0.000	1	112.8210	0.000	1	112.8210	0.000	1	112.8210	0.000	1	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:3:1:	3:3:4:1:	4:3:4:	C[6,6]-3:C-4:N-3:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){3|C<4>,4|H<1>}	112.4515	0.398	2	112.4515	0.158	2	112.4515	0.158	2	111.7917	1.385	3	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:3:1:	3:3:4:1:	4:3:4:	C[6,6]-3:C-4:O-3:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO){3|C<4>,4|H<1>}	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	111.7917	1.385	3	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:3:1:	3:4:3:1:	4:3:4:	C[6,6]-3:C-4:N-3:H-1:	C[6,6]-3:C-4:N-3:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){3|C<4>,4|H<1>}	110.2285	1.712	2	110.2285	2.931	2	110.2285	2.931	2	110.2285	2.931	2	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-3:C[3x6]-4:C-4:	C(C[6,6]C[3x6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH)	C(C[6,6]C[3x6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	111.8678	2.062	4	111.8678	4.252	4	111.8678	4.252	4	111.8678	4.252	4	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.1495	0.704	2	111.1495	0.495	2	112.8900	5.687	28	112.8900	5.687	28	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	112.9832	1.731	8	112.9832	2.997	8	112.8900	5.687	28	112.8900	5.687	28	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	111.9297	1.357	6	113.0419	7.384	18	112.8900	5.687	28	112.8900	5.687	28	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	114.0562	2.999	10	113.0419	7.384	18	112.8900	5.687	28	112.8900	5.687	28	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|H<1>,4|C<4>}	111.3070	3.412	2	113.0419	7.384	18	112.8900	5.687	28	112.8900	5.687	28	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[3,6,6]-3:P[6,6]-2:C-4:	C(C[6,6]P[3,6,6]P[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C[6,6](P[3,6,6]C[3,5,6,6]P[3,5,6,6])(P[6,6]C[5,5,6,6])(CC3)	C(C[6,6]P[3,6,6]P[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C[6,6](P[3,6,6]C[3,5,6,6]P[3,5,6,6])(P[6,6]C[5,5,6,6])(CC3){1|P<4>,3|C<4>}	111.0690	1.398	3	111.0690	1.955	3	111.0690	1.955	3	110.6358	3.497	5	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,3x6]-3:P[6,6]-2:C-4:	C(C[6,6]P[4,3x6]P[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C[6,6](P[4,3x6]C[3,4,6,6]C[4,5,6,6])(P[6,6]C[5,3x6])(CC3)	C(C[6,6]P[4,3x6]P[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C[6,6](P[4,3x6]C[3,4,6,6]C[4,5,6,6])(P[6,6]C[5,3x6])(CC3){1|P<4>,2|P<3>,3|C<4>}	109.9860	2.944	2	109.9860	8.669	2	109.9860	8.669	2	110.6358	3.497	5	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	109.5763	1.990	3	109.5763	3.962	3	109.8747	2.222	6	109.8747	2.222	6	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){3|C<3>,3|C<4>}	110.1730	1.151	3	110.1730	1.325	3	109.8747	2.222	6	109.8747	2.222	6	112.6995	5.483	73	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:2:4:4:	4:1:1:1:	3:2:4:	C[6]-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C(CC[6]CO)(H)3	C[6](C[6]C[6]H)(S[6]C[6])(CCCO)	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C(CC[6]CO)(H)3	C[6](C[6]C[6]H)(S[6]C[6])(CCCO){1|C<4>,1|O<1>,2|H<1>}	111.2790	4.855	2	111.2790	23.571	2	111.2790	23.571	2	111.2790	23.571	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5a]-3:C[5a]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C(CC[5a]2C[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C(CC[5a]2C[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5a]2C){1|C<3>,1|C<4>,1|H<1>}	110.4530	0.095	2	110.4530	0.009	2	110.4530	0.009	2	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	109.6111	0.669	11	109.5846	0.361	35	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	109.5725	0.582	24	109.5846	0.361	35	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Co)(C[6]N[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Co)(C[6]N[6]H)(CC[6]2C){1|C<3>,1|C<4>}	110.2890	0.021	2	109.7802	0.593	6	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Co)(C[6]N[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Co)(C[6]N[6]H)(CC[6]2C){1|C<3>,1|H<1>}	109.5258	0.854	4	109.7802	0.593	6	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	109.4488	0.791	11	109.4927	0.508	24	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	109.5298	0.671	13	109.4927	0.508	24	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	109.9613	0.612	7	110.2296	0.264	53	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|N<3>}	110.7810	0.274	2	110.2296	0.264	53	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|C<4>}	110.3813	0.507	6	110.2296	0.264	53	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	110.2260	0.489	38	110.2296	0.264	53	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	109.3325	0.238	2	108.8025	0.215	6	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	108.5375	0.242	4	108.8025	0.215	6	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	109.8490	0.058	2	109.6055	0.067	6	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	109.4838	0.225	4	109.6055	0.067	6	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	109.6090	0.444	7	109.6348	0.150	21	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	109.6476	0.373	14	109.6348	0.150	21	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	109.0335	0.276	2	109.1698	0.094	6	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C(CC[6]3)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	109.2380	0.336	4	109.1698	0.094	6	109.7575	0.436	157	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6a]-3:O-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(CH3)	C(CC[6a]C[6]O)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(CH3)	C(CC[6a]C[6]O)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]CO){1|Br<1>,1|C<3>,1|H<1>}	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	C(CC[6a]2C[6])(H)3	C[6](C[6]C[6]H)2(CC[6a]2C)	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	C(CC[6a]2C[6])(H)3	C[6](C[6]C[6]H)2(CC[6a]2C){1|C<3>,2|H<1>}	108.9007	1.846	6	108.9007	3.406	6	108.9007	3.406	6	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C(CC[6]N[5]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C)	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C(CC[6]N[5]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C){1|O<1>,2|C<3>}	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C(CN[5a]2C[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C(CN[5a]2C[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C){1|O<1>,2|C<3>}	112.0900	0.000	1	112.0900	0.000	1	110.8427	1.647	3	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	3:3:4:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C(CN[5a]2C[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C(CN[5a]2C[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	110.2190	0.980	2	110.2190	0.960	2	110.8427	1.647	3	109.7723	0.633	170	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	109.0485	0.377	2	109.0485	0.142	2	109.0485	0.142	2	110.8264	0.823	20	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Ag)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,2|H<1>}	111.0040	0.288	4	111.0040	0.083	4	111.0239	0.499	18	110.8264	0.823	20	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	110.8622	1.039	6	111.0413	0.733	12	111.0239	0.499	18	110.8264	0.823	20	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	111.2205	0.675	6	111.0413	0.733	12	111.0239	0.499	18	110.8264	0.823	20	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C-4:N[6]-3:C[6]-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C(CC[6a]C[6]2)(H)3	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	110.9595	0.388	2	110.9595	0.151	2	111.0239	0.499	18	110.8264	0.823	20	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	3:3:4:1:	3:3:4:	C[5]-3:C[6]-3:C-4:H-1:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	111.1530	0.000	1	111.1530	0.000	1	109.8908	1.425	5	111.0565	3.190	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	3:3:4:1:	3:3:4:	C[5]-3:C[6]-3:C-4:H-1:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	108.4070	0.000	1	108.4070	0.000	1	109.8908	1.425	5	111.0565	3.190	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	3:3:4:1:	3:3:4:	C[5]-3:C[6]-3:C-4:H-1:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	110.8950	0.000	1	110.8950	0.000	1	109.8908	1.425	5	111.0565	3.190	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	3:3:4:1:	3:3:4:	C[5]-3:C[6]-3:C-4:H-1:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	109.4995	0.769	2	109.4995	0.591	2	109.8908	1.425	5	111.0565	3.190	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	3:3:4:1:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[6]2H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[6]2H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	113.5875	2.764	2	113.5875	7.640	2	113.5875	7.640	2	111.0565	3.190	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	3:3:4:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:N-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	111.1843	1.024	6	111.1843	1.048	6	111.1843	1.048	6	111.0565	3.190	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	3:4:2:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH){1|C<4>,4|H<1>}	114.3040	0.000	1	114.3040	0.000	1	114.3040	0.000	1	114.3040	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	3:4:3:1:	3:2:4:	C[6]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH){1|C<3>,2|H<1>}	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH){1|H<1>,1|N<3>,4|C<3>}	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.3565	0.002	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)2(CH3)(H)	C(CC[6]2H)(H)3	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C(C[6]C[6]2)2(CH3)(H)	C(CC[6]2H)(H)3	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	109.3290	0.000	1	109.3290	0.000	1	109.3290	0.000	1	109.3565	0.002	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)2(CH3)(H)	C(CC[6]2H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CH3)(H)	C(CC[6]2H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	113.0677	0.337	3	113.0677	0.114	3	113.0677	0.114	3	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CH3)(H)	C(CC[6]2H)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CH3)(H)	C(CC[6]2H)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	113.3410	0.353	4	113.3410	0.125	4	113.3410	0.125	4	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	109.2750	0.701	2	109.2750	0.492	2	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	109.7413	1.131	4	109.7413	1.280	4	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	112.4490	0.000	1	112.4490	0.000	1	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	117.0640	0.000	1	117.0640	0.000	1	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	114.0750	0.270	2	114.0750	0.073	2	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	111.4860	0.000	1	111.4860	0.000	1	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	112.6140	0.000	1	112.6140	0.000	1	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	110.3860	0.000	1	110.3860	0.000	1	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	110.0925	0.159	2	110.0925	0.025	2	111.3233	5.557	15	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	C[6](C[6]C[6]H)2(CN[5]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	C[6](C[6]C[6]H)2(CN[5]CH){1|C<3>,1|H<1>}	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	111.4730	1.253	6	111.4730	1.570	6	111.4050	1.066	9	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	110.9540	0.023	2	110.9540	0.001	2	111.4050	1.066	9	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	111.8990	0.000	1	111.8990	0.000	1	111.4050	1.066	9	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	113.3963	0.607	6	113.4444	0.323	7	113.4444	0.323	7	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	113.7330	0.000	1	113.4444	0.323	7	113.4444	0.323	7	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C(CC[6]N[6]H)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]CH)	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C(CC[6]N[6]H)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]CH){1|C<3>,2|H<1>}	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	112.1901	3.434	40	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:S-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C(CC[6]N[5]H)(SC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C(CC[6]N[5]H)(SC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)2(CCHH)(H)	C(CC[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]O)2(CC[6]CH)	C(C[6]C[6]2)2(CCHH)(H)	C(CC[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	113.2860	3.243	2	113.2860	10.516	2	113.2860	10.516	2	113.4384	2.036	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	113.3075	0.463	2	113.3075	0.215	2	113.8603	1.024	3	113.4384	2.036	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	114.9660	0.000	1	114.9660	0.000	1	113.8603	1.024	3	113.4384	2.036	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	112.5200	0.000	1	112.5200	0.000	1	113.1180	0.399	3	113.4384	2.036	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	113.4170	0.511	2	113.4170	0.261	2	113.1180	0.399	3	113.4384	2.036	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:3:4:1:	3:3:4:	C[5]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:3:4:4:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:O-3:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C(CC[6]N[5]H)(OZnH)(CH3)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C(CC[6]N[5]H)(OZnH)(CH3)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	115.4740	0.000	1	115.4740	0.000	1	115.4740	0.000	1	115.4740	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:2:4:	C[6]-3:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHP)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHP){1|C<4>,4|H<1>}	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)2(CCHH)(H)	C(CC[6]2H)(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CCHH)(H)	C(CC[6]2H)(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	113.0216	0.495	8	113.0216	0.245	8	113.0216	0.245	8	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CCHH)(H)	C(CC[6]2H)(CCHH)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CCHH)(H)	C(CC[6]2H)(CCHH)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[6]CH){1|H<1>,2|C<3>}	109.1585	0.452	2	109.1585	0.204	2	109.1585	0.204	2	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CHHP)(H)	C(CC[6]2H)(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CHHP)(H)	C(CC[6]2H)(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	112.8565	0.220	2	113.3275	1.225	4	113.3275	1.225	4	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:P-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CHHP)(H)	C(CC[6]2H)(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CHHP)(H)	C(CC[6]2H)(PRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH){1|H<1>,2|C<3>}	113.7985	1.655	2	113.3275	1.225	4	113.3275	1.225	4	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6]-3:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP){1|C<4>,4|H<1>}	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	114.4970	0.000	1	114.4970	0.000	1	113.1280	1.445	12	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	114.7320	0.000	1	114.7320	0.000	1	113.1280	1.445	12	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	113.8475	0.636	2	113.8475	0.404	2	113.1280	1.445	12	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CF3)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CF3)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH){1|O<1>,2|C<3>}	111.5170	0.000	1	111.5170	0.000	1	113.1280	1.445	12	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	113.5500	0.696	3	112.7279	1.050	7	113.1280	1.445	12	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	112.1112	0.770	4	112.7279	1.050	7	113.1280	1.445	12	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:P-4:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C(CC[6a]C[6]H)(PC[6a]3)(F)2	C[6](C[6]O[6]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C(CC[6a]C[6]H)(PC[6a]3)(F)2	C[6](C[6]O[6]O)2(CC[6a]CH){1|C<4>}	115.6690	0.000	1	115.6690	0.000	1	115.6690	0.000	1	112.9960	2.308	28	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:2:	C[6]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:N[6]-2:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6]){1|C<3>,1|H<1>}	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	110.6685	8.401	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	3:4:2:	C[6]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O[6]-2:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6]){1|H<1>,3|C<3>}	112.7180	0.000	1	112.7180	0.000	1	112.7180	0.000	1	110.6685	8.401	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:1:1:	4:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NCCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NCCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH){1|C<3>,3|H<1>}	118.2360	0.000	1	118.2360	0.000	1	118.2360	0.000	1	118.2360	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:2:1:	4:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH){2|H<1>,3|C<4>}	117.8850	0.000	1	117.8850	0.000	1	117.8850	0.000	1	117.8850	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	114.1705	0.470	2	114.1705	0.221	2	114.1705	0.221	2	114.1705	0.221	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:3:1:	4:2:2:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C[6]-2:C[6]-2:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C[6](CC[6a]CH)(C[6]C[6])2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C[6](CC[6a]CH)(C[6]C[6])2{1|C<3>,2|C<4>}	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C(CC[6a]C[6]H)(CH3)2(H)	C[6](C[6]C[6]O)2(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C(CC[6a]C[6]H)(CH3)2(H)	C[6](C[6]C[6]O)2(CC[6a]CH){1|C<3>,3|C<4>}	112.5135	0.274	2	112.5135	0.075	2	112.5135	0.075	2	112.5135	0.075	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:4:3:	3:3:4:	C[6]-3:N-3:C-4:H-1:	C-4:C-4:C-4:C-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C(CC[6]HN)(CH3)2(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C(CC[6]HN)(CH3)2(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6]-3:C[6]-3:C-4:F-1:	C-4:C-4:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CC3)(F)	C(CC[6]2F)(CH3)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF)	C(C[6]C[6]N[6])2(CC3)(F)	C(CC[6]2F)(CH3)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF){1|C<3>,2|H<1>}	117.2305	0.411	4	117.2305	0.169	4	114.6760	4.475	12	114.8961	5.192	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6]-3:C[6]-3:C-4:F-1:	C-4:C-4:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CC3)(F)	C(CC[6]2F)(CNiHH)(CH3)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF)	C(C[6]C[6]N[6])2(CC3)(F)	C(CC[6]2F)(CNiHH)(CH3)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF){1|C<3>,2|H<1>}	113.3987	1.169	8	113.3987	1.366	8	114.6760	4.475	12	114.8961	5.192	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)2(CC3)(H)	C(CC[6]2H)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CC3)(H)	C(CC[6]2H)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<1>}	115.7622	3.407	4	115.7622	11.608	4	115.7622	11.608	4	114.8961	5.192	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6]-3:O-3:C-4:H-1:	C-4:C-4:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C(CC[6]HO)(CH3)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C(CC[6]HO)(CH3)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHO){1|H<1>,2|C<3>}	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	114.8961	5.192	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C(CC[6a]C[6]H)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C(CC[6a]C[6]H)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<1>}	114.8730	0.000	1	114.8730	0.000	1	114.8730	0.000	1	114.8961	5.192	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CH3)(OC)	C(CC[6]2O)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CH3)(OC)	C(CC[6]2O)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	106.7095	0.828	2	106.7095	0.686	2	107.3004	1.246	12	108.0960	2.573	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CH3)(OH)	C(CC[6]2O)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CH3)(OH)	C(CC[6]2O)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	106.5677	0.309	6	106.5677	0.096	6	107.3004	1.246	12	108.0960	2.573	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CH3)(OH)	C(CC[6]2O)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CH3)(OH)	C(CC[6]2O)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	108.6950	0.529	4	108.6950	0.279	4	107.3004	1.246	12	108.0960	2.573	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C(CC[6a]C[6]O)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C(CC[6a]C[6]O)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	108.1170	1.691	2	108.1170	2.861	2	108.1170	2.861	2	108.0960	2.573	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(OPdC)(CH3)(OC)	C(CC[6]OO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO)	C(C[6]C[6]N[6])(OPdC)(CH3)(OC)	C(CC[6]OO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO){1|H<1>,2|C<3>}	109.9970	1.011	5	109.9970	1.022	5	109.9970	1.022	5	108.0960	2.573	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:3:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:O-2:	C-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)2(CC[6a]CO)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)2(CC[6a]CO){1|N<3>,2|H<1>}	111.9490	0.303	2	111.9490	0.092	2	111.9490	0.092	2	111.9490	0.092	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:C-2:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CCHH)(CN)	C(CC[6]2C)(CCHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CCHH)(CN)	C(CC[6]2C)(CCHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CC){1|H<1>,2|C<3>}	107.4083	2.323	4	107.4083	5.395	4	107.4083	5.395	4	108.0789	6.860	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CCHH)(OC)	C(CC[6]2O)(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CCHH)(OC)	C(CC[6]2O)(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	107.2150	1.493	2	107.2150	2.230	2	107.2150	2.230	2	108.0789	6.860	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:2:	4:4:1:1:	3:3:4:	C[6]-3:C[6a]-3:C-4:C-2:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]C[6]C)(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]C[6]C)(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC){1|C<3>,2|H<1>}	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	108.0789	6.860	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:3:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:O-3:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CCHH)(OCu2)	C(CC[6]2O)(CCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CCHH)(OCu2)	C(CC[6]2O)(CCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO){1|C<3>,2|H<1>}	110.0332	2.579	4	110.0332	6.652	4	110.0332	6.652	4	110.5262	5.020	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:3:	4:3:1:1:	3:3:4:	C[6]-3:C[6a]-3:C-4:O-3:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(OZn2)	C(CC[6a]C[6]O)(CCO)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(OZn2)	C(CC[6a]C[6]O)(CCO)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	111.5120	1.493	2	111.5120	2.230	2	111.5120	2.230	2	110.5262	5.020	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:3:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:O-3:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CCHH)(OCo2)	C(CC[6]2O)(CCHH)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CCHH)(OCo2)	C(CC[6]2O)(CCHH)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	109.6580	1.399	2	109.6580	1.956	2	109.6580	1.956	2	109.6580	1.956	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CH3)2	C(CC[6]2C)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CH3)2	C(CC[6]2C)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC){1|C<3>,2|H<1>}	109.6109	1.267	8	109.6109	1.606	8	109.6882	1.086	12	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CH3)2	C(CC[6]2C)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CH3)2	C(CC[6]2C)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC){1|C<3>,1|C<4>,1|H<1>}	109.8990	0.201	2	109.8427	0.189	4	109.6882	1.086	12	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CH3)2	C(CC[6]2C)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CH3)2	C(CC[6]2C)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC){1|C<3>,2|H<1>}	109.7865	0.716	2	109.8427	0.189	4	109.6882	1.086	12	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN){1|C<3>,1|H<1>,1|O<2>}	107.4455	0.569	2	107.7632	2.514	8	108.4813	1.947	31	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	107.8692	1.844	6	107.7632	2.514	8	108.4813	1.947	31	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	108.7772	0.805	12	108.7772	0.648	12	108.4813	1.947	31	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	108.1390	4.135	2	108.1390	17.100	2	108.4813	1.947	31	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	C(CC[6]CN)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	C(CC[6]CN)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	108.0830	0.000	1	108.0830	0.000	1	108.4813	1.947	31	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	109.3930	2.779	2	109.3930	7.722	2	108.4813	1.947	31	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NPdC)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NPdC)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN){1|C<3>,2|H<1>}	109.1070	0.414	2	109.1070	0.172	2	108.4813	1.947	31	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NZnC)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NZnC)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCCN){1|C<3>,2|H<1>}	108.5315	0.465	4	108.5315	0.217	4	108.4813	1.947	31	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(OIrH)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(OIrH)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	110.5722	1.111	6	110.5722	1.235	6	110.3945	2.751	18	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(ONiH)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(ONiH)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	110.4870	1.638	2	110.4870	2.682	2	110.3945	2.751	18	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(OPdH)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(OPdH)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO){1|H<1>,2|C<3>}	110.4405	0.745	4	110.4405	0.556	4	110.3945	2.751	18	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(ORu2)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(ORu2)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|Br<1>,1|C<3>,1|H<1>}	110.5240	4.617	2	110.1553	7.137	6	110.3945	2.751	18	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(ORu2)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(ORu2)(CH3)2	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	109.9710	2.157	4	110.1553	7.137	6	110.3945	2.751	18	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C(CC[6a]C[6]C)(H)3	C[6](C[6]C[6]H)2(CC[6a]CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C(CC[6a]C[6]C)(H)3	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|C<4>}	110.1947	1.724	9	110.3266	2.631	11	110.3266	2.631	11	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C(CC[6a]C[6]C)(H)3	C[6](C[6]C[6]H)2(CC[6a]CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C(CC[6a]C[6]C)(H)3	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|H<1>}	110.9205	1.289	2	110.3266	2.631	11	110.3266	2.631	11	109.4427	2.785	72	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6]-3:C[6]-3:N[5]-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(N[5]C[5]2Rh)(CH3)	C(CC[6]2N[5])(H)3	C[6](CC[6]N[5]C)(N[6]C[6]Rh)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[5]C[5]2Rh)(CH3)	C(CC[6]2N[5])(H)3	C[6](CC[6]N[5]C)(N[6]C[6]Rh)(C[6]C[6]H){1|C<3>,2|H<1>}	111.2735	0.159	2	111.2735	0.025	2	111.2735	0.025	2	111.2735	0.025	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5a]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C(CC[5a]C[6]C)(H)3	C[6](C[6]C[6]HV)(C[6]C[6]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C(CC[5a]C[6]C)(H)3	C[6](C[6]C[6]HV)(C[6]C[6]H)(CC[5a]CC){1|C<3>,1|C<4>,1|H<1>}	110.4955	0.639	4	110.4955	0.409	4	110.4955	0.409	4	110.4955	0.409	4	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:3:1:1:	3:3:4:	C[6]-3:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	C(CC[6]CN)(CC[6]N)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	C(CC[6]CN)(CC[6]N)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(CCHH)2	C(CC[6]2C)(CCHH)(H)2	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CCHH)2	C(CC[6]2C)(CCHH)(H)2	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CC[6]CC){1|H<1>,2|C<3>}	110.2157	1.678	4	110.2157	2.814	4	110.2157	2.814	4	110.9607	6.495	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C[6]-3:N-4:C-4:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])2(NFeCC)(CCHH)	C(CC[6]2N)(CCHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]CN)	C(C[6]C[6]N[6])2(NFeCC)(CCHH)	C(CC[6]2N)(CCHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]CN){1|C<3>,2|H<1>}	112.4505	4.168	2	112.4505	17.376	2	112.4505	17.376	2	110.9607	6.495	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:3:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(OMo)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(OMo)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	114.9720	0.000	1	114.9720	0.000	1	115.9193	3.438	21	115.3572	3.890	32	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:3:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(ORu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(ORu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	115.9667	1.889	20	115.9667	3.569	20	115.9193	3.438	21	115.3572	3.890	32	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:3:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SV)	C[6](C[6]C[6]H)(N[6]C[6]V)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SV)	C[6](C[6]C[6]H)(N[6]C[6]V)(CCHH){1|C<3>,1|C<4>,1|H<1>}	111.5285	0.490	2	111.5285	0.240	2	111.5285	0.240	2	115.3572	3.890	32	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:3:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	115.1040	0.625	2	115.1040	0.391	2	114.8964	1.716	9	115.3572	3.890	32	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:3:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SCu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SCu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	115.9130	0.363	2	115.9130	0.132	2	114.8964	1.716	9	115.3572	3.890	32	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:3:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SMo)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SMo)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	114.5233	2.075	3	114.5233	4.306	3	114.8964	1.716	9	115.3572	3.890	32	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:3:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SZn)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SZn)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	114.2320	1.066	2	114.2320	1.137	2	114.8964	1.716	9	115.3572	3.890	32	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CC[6]HH)(H)2	C(C[6]C[6]O[6])(CC[6]HH)(H)2	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6]HH)(H)2	C(C[6]C[6]O[6])(CC[6]HH)(H)2	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.1225	0.326	2	109.1225	0.106	2	109.1225	0.106	2	112.3313	10.936	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-2:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6])(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	112.3313	10.936	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	112.3313	10.936	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,1|H<1>,1|N<2>}	112.4060	0.000	1	112.8165	0.337	2	112.8165	0.337	2	112.3313	10.936	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	113.2270	0.000	1	112.8165	0.337	2	112.8165	0.337	2	112.3313	10.936	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	114.4660	0.000	1	114.4660	0.000	1	113.5331	8.211	58	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	115.0485	0.028	2	115.0485	0.001	2	113.5331	8.211	58	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	113.4611	2.926	55	113.4611	8.561	55	113.5331	8.211	58	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	113.6675	0.353	2	112.6497	3.170	3	112.6497	3.170	3	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	110.6140	0.000	1	112.6497	3.170	3	112.6497	3.170	3	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	113.1815	3.338	4	113.1815	11.140	4	115.3702	17.965	22	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	114.2790	1.800	2	114.2790	3.241	2	115.3702	17.965	22	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	112.2750	0.164	2	112.2750	0.027	2	115.3702	17.965	22	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	112.0035	3.799	2	112.8204	6.880	5	115.3702	17.965	22	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	113.3650	2.330	3	112.8204	6.880	5	115.3702	17.965	22	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	118.6899	4.193	9	118.6899	17.583	9	115.3702	17.965	22	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CC[6]HH)(H)2	C(C[6]N[6]2)(CC[6]HH)(H)2	C[6](N[6]C[6]H)2(CCHH)	C(C[6]N[6]2)(CC[6]HH)(H)2	C(C[6]N[6]2)(CC[6]HH)(H)2	C[6](N[6]C[6]H)2(CCHH){1|C<4>,4|H<1>}	112.6810	1.513	3	112.6810	2.289	3	112.6810	2.289	3	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	112.4080	0.000	1	112.4080	0.000	1	113.1268	6.455	13	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	116.0055	0.128	2	116.0055	0.016	2	113.1268	6.455	13	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>}	113.1420	0.000	1	113.1420	0.000	1	113.1268	6.455	13	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	113.2100	0.000	1	112.5652	7.190	9	113.1268	6.455	13	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	112.4846	2.855	8	112.5652	7.190	9	113.1268	6.455	13	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH){2|C<3>,2|O<1>}	116.1080	0.000	1	116.1080	0.000	1	114.3950	2.211	3	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	113.5385	0.146	2	113.5385	0.021	2	114.3950	2.211	3	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.6527	1.812	3	112.6527	3.284	3	112.6527	3.284	3	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]Pd)(CC[6]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]Pd)(CC[6]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.5240	0.103	2	113.5240	0.011	2	113.5240	0.011	2	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.5415	0.203	2	113.5415	0.041	2	113.5273	0.021	3	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.4990	0.000	1	113.4990	0.000	1	113.5273	0.021	3	113.7874	9.324	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.8650	1.114	2	113.8650	1.242	2	113.8650	1.242	2	113.4601	0.244	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	113.4682	0.287	4	113.4682	0.082	4	113.4682	0.082	4	113.4601	0.244	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH){1|Si<4>,1|C<3>,2|H<1>}	112.3510	0.000	1	112.3510	0.000	1	112.3510	0.000	1	113.4601	0.244	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	113.4758	0.244	6	113.4758	0.060	6	113.4758	0.060	6	113.4601	0.244	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH){1|Si<4>,1|C<3>,2|H<1>}	113.3660	0.392	4	113.3660	0.153	4	113.3660	0.153	4	113.4601	0.244	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	113.4601	0.244	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[4,6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2)(CCHH){1|C<3>,3|C<4>,4|H<1>,5|B<6>}	114.4245	2.252	2	114.4245	5.072	2	114.4245	5.072	2	114.4245	5.072	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:2:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	113.6335	0.528	2	113.6335	0.279	2	113.6335	0.279	2	113.6335	0.279	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:2:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:3:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	114.0740	1.328	2	114.0740	1.763	2	114.0740	1.763	2	114.0740	1.763	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-3:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(ORu2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(ORu2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.0155	0.438	2	114.0155	0.192	2	114.0155	0.192	2	114.0155	0.192	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:3:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH){4|C<4>,4|H<1>}	115.6155	2.186	2	115.6155	4.777	2	115.6155	4.777	2	115.6155	4.777	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:3:2:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:3:2:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|O<1>,2|H<1>}	112.5520	0.916	2	112.5520	0.840	2	112.5520	0.840	2	112.5520	0.840	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.7575	1.128	4	113.7575	1.273	4	113.7575	1.273	4	113.7575	1.273	4	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	3:4:4:4:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CCu2C)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CCu2C)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.5990	1.878	4	114.5990	3.526	4	114.5990	3.526	4	114.5990	3.526	4	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	2:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-2:N[6]-2:C-4:	C(C[6]N[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6])2(CCHH)	C(C[6]N[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6])2(CCHH){1|N<2>,2|N<3>}	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	2:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH){1|C<4>,2|N<3>}	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	112.2375	5.136	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	2:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-2:N[6]-3:C-4:	C(C[6]N[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH)	C(C[6]N[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH){1|S<1>,2|C<3>}	113.8400	0.000	1	113.8400	0.000	1	113.8400	0.000	1	112.2375	5.136	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C(C[6]C[6,6a]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH)	C(C[6]C[6,6a]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	112.0765	0.340	2	112.0765	0.116	2	112.0765	0.116	2	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<2>}	112.9740	1.488	2	112.9740	2.213	2	112.3270	0.830	6	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]H)(N[6]C[6])(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	112.0035	0.477	4	112.0035	0.228	4	112.3270	0.830	6	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|O<1>,2|C<4>}	114.1210	2.275	2	114.1210	5.178	2	114.8590	3.833	12	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	114.9403	2.248	8	115.0066	3.964	10	114.8590	3.833	12	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<1>}	115.2720	0.337	2	115.0066	3.964	10	114.8590	3.833	12	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C(C[6]C[6]S[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH)	C(C[6]C[6]S[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6,6a]-3:O[6]-2:C-4:	C(C[6]N[6,6a]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH)	C(C[6]N[6,6a]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH){1|N<3>,2|O<2>,3|C<3>}	112.9770	1.802	2	112.9770	3.246	2	112.9770	3.246	2	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C(C[6]N[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]N[6]C)(N[6]N[6])(CCHH)	C(C[6]N[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]N[6]C)(N[6]N[6])(CCHH){2|C<3>}	113.9815	0.596	2	113.9815	0.355	2	113.9815	0.355	2	113.7708	3.494	25	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[6]C[5a,6]2)(CF3)(F)2	C(CC[6]FF)(F)3	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF)	C(C[6]C[5a,6]2)(CF3)(F)2	C(CC[6]FF)(F)3	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF){1|B<4>,2|H<1>,4|C<3>}	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CBrHH)(H)2	C(CC[6]HH)(Br)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CBrHH)(H)2	C(CC[6]HH)(Br)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<1>,4|C<3>}	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CClHH)(H)2	C(CC[6]HH)(Cl)(H)2	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CClHH)(H)2	C(CC[6]HH)(Cl)(H)2	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){2|C<4>}	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CF3)(H)2	C(CC[6]HH)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CF3)(H)2	C(CC[6]HH)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	113.7265	1.268	2	113.7265	1.607	2	113.7265	1.607	2	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH){1|O<2>,1|P<4>,2|C<4>,3|H<1>}	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(C[6]C[6,6a]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(C[6]C[6,6a]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	111.5600	0.000	1	111.5600	0.000	1	113.4143	4.208	3	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	115.6180	0.000	1	115.6180	0.000	1	113.4143	4.208	3	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	113.0650	0.000	1	113.0650	0.000	1	113.4143	4.208	3	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6,6a]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	111.0070	1.003	2	111.0070	1.005	2	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	111.4650	0.000	1	111.4650	0.000	1	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	112.2905	1.068	2	112.2905	1.142	2	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	110.8130	0.000	1	110.8130	0.000	1	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	110.4570	0.000	1	110.9826	0.497	8	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	111.2830	0.454	6	110.9826	0.497	8	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	109.7060	0.000	1	110.9826	0.497	8	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH){1|Si<4>,1|C<6>,2|C<3>,4|B<6>}	111.2760	0.000	1	111.2760	0.000	1	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	113.1075	0.787	2	113.1075	0.619	2	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	111.2010	0.000	1	111.2010	0.000	1	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	111.0820	1.227	4	111.0820	1.505	4	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	111.9240	0.000	1	111.9240	0.000	1	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|Pd<4>,1|C<3>,1|O<1>}	112.6610	0.000	1	112.6610	0.000	1	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	112.4650	0.000	1	113.9504	4.528	12	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	116.8070	0.000	1	113.9504	4.528	12	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	113.5163	1.979	9	113.9504	4.528	12	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ni<6>,1|C<3>,1|H<1>}	116.4860	0.000	1	113.9504	4.528	12	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,1|C<4>}	113.2715	1.696	2	114.3092	14.781	13	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	114.4978	4.147	11	114.3092	14.781	13	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|N<3>}	113.9285	2.620	2	114.0750	5.467	24	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	114.0883	2.379	22	114.0750	5.467	24	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|S<4>,5|C<3>}	111.7900	0.300	2	111.9397	0.112	3	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,6|C<3>}	112.2390	0.000	1	111.9397	0.112	3	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	113.2390	0.109	2	113.2390	0.012	2	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]O)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]O)2(CCHH){1|C<3>,2|H<1>}	106.1070	0.000	1	106.1070	0.000	1	113.0882	7.000	79	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH){1|C<3>,2|H<1>}	111.0750	0.000	1	111.0750	0.000	1	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	113.9300	0.707	3	113.9300	0.500	3	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	98.0329	0.000	1	112.8427	36.138	8	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<2>,1|N<3>,1|O<2>}	114.6830	0.185	2	112.8427	36.138	8	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<6>,1|C<3>,1|H<1>}	115.5390	0.000	1	112.8427	36.138	8	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<7>,1|C<3>,1|H<1>}	114.1870	0.000	1	112.8427	36.138	8	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	115.2057	0.708	3	112.8427	36.138	8	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	111.6575	0.811	8	111.6575	0.657	8	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){1|N<2>,2|C<3>,2|N<3>}	112.1636	1.306	28	112.1741	1.764	30	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){2|C<3>,3|N<3>}	112.3210	2.251	2	112.1741	1.764	30	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|S<2>}	112.2860	0.734	2	112.2860	0.539	2	112.2820	6.389	52	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C(C[6]N[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]N[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	111.6420	0.000	1	111.6420	0.000	1	111.6420	0.000	1	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	110.9840	0.000	1	110.9840	0.000	1	113.7505	5.795	11	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	111.7950	0.000	1	111.7950	0.000	1	113.7505	5.795	11	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	112.9275	1.682	2	112.9275	2.830	2	113.7505	5.795	11	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	110.8120	0.000	1	110.8120	0.000	1	113.7505	5.795	11	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	113.4035	0.342	2	113.4035	0.117	2	113.7505	5.795	11	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	116.5020	0.000	1	116.5020	0.000	1	113.7505	5.795	11	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	116.1670	2.026	3	116.1670	4.105	3	113.7505	5.795	11	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)(O)	C(CC[6]HO)(H)3	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CH3)(H)(O)	C(CC[6]HO)(H)3	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	112.7818	6.674	155	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CClHH)(H)2	C(CC[6]HH)(Cl)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C(C[6]C[6]2)(CClHH)(H)2	C(CC[6]HH)(Cl)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	115.0265	2.931	2	115.0265	8.591	2	115.0265	8.591	2	113.1329	3.108	14	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C(C[6]C[4,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C(C[6]C[4,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	112.4367	0.532	6	112.5999	0.423	7	112.5999	0.423	7	113.1329	3.108	14	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C(C[6]C[4,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C(C[6]C[4,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	113.5790	0.000	1	112.5999	0.423	7	112.5999	0.423	7	113.1329	3.108	14	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C(C[6]C[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)	C(C[6]C[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,3|C<3>,3|H<1>}	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	113.1329	3.108	14	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH){1|C<6>,2|H<1>,4|B<6>}	112.1930	1.000	2	112.1930	1.000	2	112.1490	0.506	3	113.1329	3.108	14	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH){1|C<4>,3|C<3>}	112.0610	0.000	1	112.0610	0.000	1	112.1490	0.506	3	113.1329	3.108	14	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CHHI)(H)2	C(CC[6]HH)(H)2(I)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C(C[6]C[6]2)(CHHI)(H)2	C(CC[6]HH)(H)2(I)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	117.0310	0.000	1	117.0310	0.000	1	117.0310	0.000	1	113.1329	3.108	14	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCl3)(H)2	C(CC[6]HH)(Cl)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCl3)(H)2	C(CC[6]HH)(Cl)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	115.8370	0.000	1	115.8370	0.000	1	115.8370	0.000	1	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	113.2840	0.000	1	113.2840	0.000	1	113.2840	0.000	1	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	115.2530	0.000	1	115.2530	0.000	1	112.9225	5.271	6	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|H<1>}	111.0250	0.000	1	111.0250	0.000	1	112.9225	5.271	6	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	111.9265	3.019	2	112.8143	5.759	4	112.9225	5.271	6	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	113.7020	2.239	2	112.8143	5.759	4	112.9225	5.271	6	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge[5,6]-4:C[6]-3:C-4:	C(C[6]Ge[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH)	C(C[6]Ge[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	110.5490	0.216	2	110.5490	0.047	2	110.5490	0.047	2	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge[6]-4:C[6]-3:C-4:	C(C[6]Ge[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH)	C(C[6]Ge[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH){1|C<4>,1|O<2>,4|C<3>}	111.2455	1.590	2	111.2455	2.529	2	111.2455	2.529	2	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH){1|Si<4>,1|H<1>,3|C<4>}	113.1740	0.000	1	113.1740	0.000	1	111.2675	1.915	6	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH){2|Ge<4>,1|C<3>,1|C<4>}	111.2185	1.139	2	111.2185	1.298	2	111.2675	1.915	6	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH){2|Si<4>,1|C<3>,1|C<4>}	111.2630	1.182	2	111.2630	1.398	2	111.2675	1.915	6	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH){2|H<1>,3|C<4>}	109.4680	0.000	1	109.4680	0.000	1	111.2675	1.915	6	112.1028	4.021	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	4:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4,6]-4:C[6]-4:C-4:	C(C[6]C[4,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH)	C(C[6]C[4,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	5:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH)	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,1|C<5>,3|H<1>,5|B<6>}	112.1745	0.084	2	112.1745	0.007	2	112.5017	0.325	3	112.5017	0.325	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	5:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(CCHH)	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(CCHH){1|C<5>,3|H<1>,4|C<3>,5|B<6>}	113.1560	0.000	1	113.1560	0.000	1	112.5017	0.325	3	112.5017	0.325	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>,5|B<6>}	113.2710	0.000	1	114.7420	4.328	2	114.5193	2.313	3	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>,3|H<1>,5|B<6>}	116.2130	0.000	1	114.7420	4.328	2	114.5193	2.313	3	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|H<1>,4|C<3>,5|B<6>}	114.0740	0.000	1	114.0740	0.000	1	114.5193	2.313	3	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	113.1630	0.000	1	113.1630	0.000	1	112.9145	1.072	4	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){2|C<4>,3|C<3>,3|H<1>,5|B<6>}	112.2670	1.105	2	112.2670	1.220	2	112.9145	1.072	4	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH){1|C<6>,3|C<3>,4|B<6>,4|H<1>}	113.9610	0.000	1	113.9610	0.000	1	112.9145	1.072	4	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	113.4470	0.000	1	113.4470	0.000	1	113.5033	0.737	12	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	113.3480	0.000	1	113.3480	0.000	1	113.5033	0.737	12	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	113.3870	0.898	7	113.5245	0.897	10	113.5033	0.737	12	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	114.3150	1.212	2	113.5245	0.897	10	113.5033	0.737	12	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:1:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	112.9060	0.000	1	113.5245	0.897	10	113.5033	0.737	12	113.5398	1.134	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	113.4760	0.590	2	113.4760	0.348	2	113.4760	0.348	2	113.4760	0.348	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	110.5220	0.000	1	110.5220	0.000	1	108.4910	12.633	3	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	107.4755	4.368	2	107.4755	19.078	2	108.4910	12.633	3	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C(C[6]C[6,6]C[6])(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH){1|H<1>,1|O<2>,3|C<4>}	111.3220	0.000	1	111.3220	0.000	1	112.1428	1.856	4	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	113.8550	0.000	1	113.8550	0.000	1	112.1428	1.856	4	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Cu<5>,2|C<3>}	112.5820	0.000	1	111.6970	1.566	2	112.1428	1.856	4	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Mn<6>,2|C<3>}	110.8120	0.000	1	111.6970	1.566	2	112.1428	1.856	4	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.3520	0.000	1	113.3520	0.000	1	113.3520	0.000	1	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.9057	3.020	3	113.9057	9.121	3	113.5224	4.886	5	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.9475	0.446	2	112.9475	0.199	2	113.5224	4.886	5	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH)	C(C[6]N[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH){2|C<3>,2|O<2>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CHHS)(H)2	C(CC[6]HH)(SC[6a])(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C(C[6]C[6,6]C[6])(CHHS)(H)2	C(CC[6]HH)(SC[6a])(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	116.4895	0.071	2	116.4895	0.005	2	116.4895	0.005	2	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHS)(H)2	C(CC[6]HH)(SAs)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CHHS)(H)2	C(CC[6]HH)(SAs)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	112.8630	0.000	1	112.8630	0.000	1	112.8630	0.000	1	112.7310	8.567	18	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NN)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NN)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	113.5927	6.318	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH){6|C<3>}	116.4420	0.000	1	116.4420	0.000	1	114.0655	11.296	2	113.5927	6.318	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	111.6890	0.000	1	111.6890	0.000	1	114.0655	11.296	2	113.5927	6.318	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:2:4:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHN)(H)2	C(CC[6]HH)(NC[6a])(CH3)(H)	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHN)(H)2	C(CC[6]HH)(NC[6a])(CH3)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<2>,2|H<1>}	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	111.7630	1.683	2	111.7630	2.832	2	113.1784	2.619	5	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CC[6]H)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CC[6]H)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	114.9020	0.000	1	114.9020	0.000	1	113.1784	2.619	5	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CC[6]O)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CC[6]O)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	113.8930	0.000	1	113.8930	0.000	1	113.1784	2.619	5	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ru<9>,1|C<3>,1|H<1>}	113.5710	0.000	1	113.5710	0.000	1	113.1784	2.619	5	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CRuH)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]N[6]O)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CRuH)(H)2	C[6](N[6]C[6,6a]Ru)(C[6]N[6]O)(CCHH){2|C<3>}	113.3820	0.000	1	113.3820	0.000	1	115.2530	7.001	2	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CRuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CRuH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	117.1240	0.000	1	117.1240	0.000	1	115.2530	7.001	2	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[4]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[4]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	110.7647	0.858	3	110.7647	0.735	3	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.7850	0.000	1	115.7850	0.000	1	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	109.8140	0.000	1	109.8140	0.000	1	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.1800	0.000	1	114.1800	0.000	1	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	110.5573	1.069	6	110.5573	1.144	6	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCO)(H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCO)(H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.2450	0.000	1	111.2450	0.000	1	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[5]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[5]Fe)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.6525	0.486	2	113.6525	0.236	2	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[6]H)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[6]H)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.8125	5.789	2	114.8125	33.513	2	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCaC)(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCaC)(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.7490	0.233	2	113.7490	0.054	2	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.4767	1.821	13	113.4767	3.318	13	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.5643	0.564	4	113.5643	0.318	4	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuN)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.5610	0.000	1	113.5610	0.000	1	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.5900	1.505	10	113.5900	2.266	10	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NIrS)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NIrS)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.1510	0.150	2	112.1510	0.022	2	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMgC)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMgC)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.1580	1.298	3	114.1580	1.686	3	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMnC)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	116.5267	3.951	3	116.5267	15.611	3	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.5459	0.887	7	113.5459	0.786	7	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NReC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NReC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.0960	0.000	1	115.0960	0.000	1	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NRhC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NRhC)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.5765	4.420	2	114.5765	19.538	2	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NSrC)(H)2	C[6](N[6]C[6]Sr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NSrC)(H)2	C[6](N[6]C[6]Sr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.1875	0.233	2	113.1875	0.054	2	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.3275	0.330	2	114.3275	0.109	2	113.3400	4.423	69	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCdH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCdH)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.7570	0.044	2	113.7570	0.002	2	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCoH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCoH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.4028	0.852	5	114.4028	0.725	5	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCr2)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCr2)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.8060	0.000	1	113.8060	0.000	1	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCu2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCu2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.9000	0.000	1	112.9000	0.000	1	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCuH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCuH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.2225	0.243	2	112.2225	0.059	2	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OFe2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OFe2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.5230	0.000	1	115.5230	0.000	1	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OMnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OMnH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.6090	0.000	1	114.6090	0.000	1	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi2)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi2)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.6947	1.174	4	113.6947	1.378	4	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONiH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.9648	0.837	9	113.9648	0.700	9	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ORu2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ORu2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.8650	0.265	3	112.8650	0.070	3	113.7886	0.963	29	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.2972	1.148	5	113.2972	1.318	5	112.7455	1.946	13	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SNiC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.8725	0.969	2	113.8725	0.940	2	112.7455	1.946	13	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SReC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SReC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.6230	0.000	1	112.6230	0.000	1	112.7455	1.946	13	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SRuC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.7674	1.439	5	111.7674	2.070	5	112.7455	1.946	13	113.3588	3.434	120	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	113.0480	0.000	1	113.0480	0.000	1	113.0480	0.000	1	113.0480	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,4|H<1>}	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	114.4350	0.000	1	114.4350	0.000	1	114.2369	3.374	9	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	113.3895	2.971	2	113.3895	8.824	2	114.2369	3.374	9	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	116.6150	0.112	2	116.6150	0.012	2	114.2369	3.374	9	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	113.9190	0.000	1	113.9190	0.000	1	114.2369	3.374	9	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|C<3>,2|H<1>}	112.7895	1.039	2	112.7895	1.079	2	114.2369	3.374	9	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	114.1900	0.000	1	114.1900	0.000	1	114.2369	3.374	9	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	111.6860	0.000	1	111.6860	0.000	1	113.8160	9.074	2	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	115.9460	0.000	1	115.9460	0.000	1	113.8160	9.074	2	114.2775	3.133	13	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:2:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHO)(H)2	C(CC[6]HH)(CCO)(OH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHO)(H)2	C(CC[6]HH)(CCO)(OH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,1|O<2>}	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:3:3:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:C-3:C-3:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC3)(H)2	C(CC[6]HH)(CC[6a]H)(CCO)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC3)(H)2	C(CC[6]HH)(CC[6a]H)(CCO)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:4:4:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(OMg2)(CH3)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(OMg2)(CH3)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	115.2690	0.000	1	115.2690	0.000	1	115.1670	0.291	9	115.1670	0.291	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:3:4:4:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(ONiH)(CH3)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(ONiH)(CH3)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.1543	0.575	8	115.1543	0.331	8	115.1670	0.291	9	115.1670	0.291	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	2:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	113.1490	0.794	6	113.1490	0.631	6	113.1490	0.631	6	113.5660	1.743	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	2:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S[6]-2:C[6]-3:C-4:	C(C[6]C[6]S[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH)	C(C[6]C[6]S[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH){2|C<3>}	116.0680	0.000	1	116.0680	0.000	1	116.0680	0.000	1	113.5660	1.743	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|N<2>,2|H<1>}	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH){1|H<1>,2|C<4>}	112.5580	0.000	1	112.5580	0.000	1	112.5580	0.000	1	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH){1|S<1>,2|C<3>}	113.7660	0.000	1	113.7660	0.000	1	114.0619	1.187	9	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	113.5540	2.124	2	113.5540	4.512	2	114.0619	1.187	9	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]B)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]B)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	114.0920	0.000	1	114.0920	0.000	1	114.0619	1.187	9	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|S<2>}	112.5740	0.000	1	113.5785	2.018	2	114.0619	1.187	9	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	114.5830	0.000	1	113.5785	2.018	2	114.0619	1.187	9	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	114.9970	0.027	2	114.9970	0.001	2	114.0619	1.187	9	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	114.4400	0.000	1	114.4400	0.000	1	114.0619	1.187	9	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHH){1|C<4>,4|H<1>}	112.8688	0.458	5	112.8688	0.210	5	112.8688	0.210	5	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-2:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6])(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	116.4830	0.000	2	116.4830	0.000	2	116.4830	0.000	2	114.3013	3.159	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[6]C[5a,6]2)(CCFF)(F)2	C(CC[6]FF)(CF3)(F)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF)	C(C[6]C[5a,6]2)(CCFF)(F)2	C(CC[6]FF)(CF3)(F)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF){1|B<4>,2|H<1>,4|C<3>}	114.1860	0.412	2	114.1860	0.169	2	114.1860	0.169	2	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH)	C(C[6]C[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH){1|H<1>,3|C<4>,4|C<3>}	115.9910	0.000	1	115.9910	0.000	1	115.9910	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	112.8065	0.800	2	112.8065	0.640	2	112.4627	0.874	4	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	112.1190	1.229	2	112.1190	1.510	2	112.4627	0.874	4	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH)	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	112.2960	0.000	1	112.2960	0.000	1	112.2960	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH)	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	112.7140	0.000	1	112.7140	0.000	1	112.7645	0.005	2	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	112.8150	0.000	1	112.8150	0.000	1	112.7645	0.005	2	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6,6a]-3:C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	117.1270	0.000	1	117.1270	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5a]CH)(CC[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5a]CH)(CC[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	112.8110	0.000	1	112.8110	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	114.8600	0.000	1	114.8600	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	109.8340	0.000	1	109.8340	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	114.3340	0.000	1	114.3340	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH){1|Pt<4>,2|C<3>}	116.7635	1.197	2	116.7635	1.433	2	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	111.7500	0.000	1	111.7500	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	111.1380	0.000	1	111.1380	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	111.4095	2.114	2	111.4095	4.467	2	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|C<4>}	114.0844	2.215	5	113.6882	1.558	30	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|H<1>}	114.5627	0.834	4	113.6882	1.558	30	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	113.0383	0.925	4	113.6882	1.558	30	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|H<1>}	113.1830	0.000	1	113.6882	1.558	30	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Fe<5>,1|C<3>,1|C<4>}	113.3492	0.334	8	113.6882	1.558	30	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ir<6>,1|C<3>,1|H<1>}	113.8013	1.585	4	113.6882	1.558	30	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<3>,1|H<1>}	113.6595	1.394	4	113.6882	1.558	30	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Co<6>,1|C<3>,1|H<1>}	114.0350	0.000	1	114.4220	1.114	5	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>}	112.8320	0.000	1	114.4220	1.114	5	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pt<4>,1|C<3>,1|C<4>}	115.4820	0.000	1	114.4220	1.114	5	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	114.8805	0.483	2	114.4220	1.114	5	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	111.8602	1.173	4	111.8602	1.376	4	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	116.3650	1.691	4	115.3259	9.907	14	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	116.7669	2.368	7	115.3259	9.907	14	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){2|C<3>,2|N<3>}	110.5783	0.235	3	115.3259	9.907	14	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	112.5172	0.318	4	112.5172	0.101	4	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	114.8197	2.367	8	114.8197	5.603	8	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	112.5900	0.000	1	112.5900	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CClHH)(H)2	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CClHH)(H)2	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){1|C<3>,1|P<4>}	112.1320	0.000	1	112.1320	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	112.4930	1.598	2	112.4930	2.554	2	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH){1|C<3>,1|C<4>}	113.9220	0.000	1	113.9220	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	111.3790	0.000	1	110.6485	1.067	2	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)2(CCHH){1|Cr<6>,1|C<4>,1|O<2>}	109.9180	0.000	1	110.6485	1.067	2	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	114.1450	1.625	2	114.1450	2.640	2	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>}	110.7410	0.000	1	110.7410	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH){2|C<4>,2|H<1>}	112.9070	0.000	1	112.9070	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>}	110.8130	0.000	1	110.8130	0.000	1	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	113.1798	1.896	6	113.1130	2.721	8	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pt<4>,1|C<3>,1|C<4>}	113.6080	0.000	1	113.1130	2.721	8	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	112.2170	0.000	1	113.1130	2.721	8	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<3>,2|H<1>}	108.4880	1.123	2	108.4880	1.261	2	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>}	115.5050	0.000	1	113.9042	7.330	48	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	113.8701	2.726	47	113.9042	7.330	48	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	113.8534	2.242	15	113.8534	5.025	15	113.7040	5.687	161	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH){1|N<2>,2|C<3>}	114.6360	0.358	4	114.6360	0.128	4	114.4198	2.303	25	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>}	111.8280	0.000	1	111.8280	0.000	1	114.4198	2.303	25	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	112.9505	2.088	2	112.9505	4.360	2	114.4198	2.303	25	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	115.4642	0.734	12	114.8820	1.594	17	114.4198	2.303	25	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<2>}	113.0192	0.686	4	114.8820	1.594	17	114.4198	2.303	25	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	115.3460	0.000	1	114.8820	1.594	17	114.4198	2.303	25	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CSiHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CSiHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.2290	0.000	1	111.2290	0.000	1	114.4198	2.303	25	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH)	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH){1|H<1>,4|C<3>}	114.7190	0.000	1	114.7190	0.000	1	114.7190	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	111.7130	0.000	1	111.7130	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	113.8460	1.444	4	113.8460	2.085	4	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	125.7620	0.000	1	125.7620	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	113.7040	0.177	4	113.7040	0.031	4	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	112.2520	0.000	1	111.3750	1.538	2	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|O<2>,2|C<3>}	110.4980	0.000	1	111.3750	1.538	2	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCHH){3|C<3>}	113.9380	5.964	2	113.9380	35.566	2	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	113.5240	2.478	2	113.0223	3.825	3	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	112.0190	0.000	1	113.0223	3.825	3	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>}	116.6860	0.000	1	116.6860	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH){2|O<1>,4|C<3>}	114.0190	0.000	1	114.0190	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	111.7520	0.000	1	111.7520	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	114.6280	0.000	1	114.6280	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	116.0755	1.070	2	116.0755	1.145	2	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	110.8810	0.000	1	110.8810	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	115.1890	0.000	1	115.1890	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CHHP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CHHP)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.1420	0.000	1	111.1420	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	114.5655	1.462	4	114.5655	2.136	4	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.0140	0.000	1	113.0140	0.000	1	114.0352	8.738	31	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	114.0694	2.050	25	114.0694	4.201	25	113.4534	4.218	37	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]C)2(CCHH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]C)2(CCHH){1|C<4>,4|H<1>}	111.7290	2.207	3	111.7290	4.870	3	113.4534	4.218	37	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Cr)(N[6]C[6]C)(CCHH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Cr)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	112.5885	1.445	2	112.5885	2.087	2	113.4534	4.218	37	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Ir)(N[6]C[6]C)(CCHH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Ir)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	113.0400	0.000	1	113.0400	0.000	1	113.4534	4.218	37	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	112.5410	0.000	2	112.5410	0.000	2	113.4534	4.218	37	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6]C)(CCHH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	112.5400	1.133	3	112.5400	1.283	3	113.4534	4.218	37	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH){1|C<4>,1|P<3>,2|N<3>,4|H<1>}	109.9330	0.000	1	109.9330	0.000	1	113.4534	4.218	37	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-3:C[6]-3:C-4:	C(C[6]C[6]P[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](P[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]P[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](P[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	112.8550	0.020	2	112.8550	0.000	2	112.8550	0.000	2	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.1820	2.220	6	111.1820	4.927	6	111.8379	7.258	9	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.1497	3.584	3	113.1497	12.841	3	111.8379	7.258	9	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoCC)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.7409	2.707	11	113.7409	7.329	11	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoCO)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoCO)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	116.9715	1.288	2	116.9715	1.658	2	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCrCO)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCrCO)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.9810	0.047	2	115.9810	0.002	2	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	112.4465	0.893	4	114.4549	3.370	44	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	114.5843	2.679	3	114.4549	3.370	44	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	113.5417	1.167	4	114.4549	3.370	44	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.7589	1.788	32	114.4549	3.370	44	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	116.0260	0.000	1	114.4549	3.370	44	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.8342	1.485	4	113.8342	2.206	4	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.1770	3.597	4	114.1770	12.942	4	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.9960	0.447	2	115.9960	0.200	2	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMnCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMnCH)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.4890	0.000	1	111.4890	0.000	1	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiCC)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.8377	3.047	36	114.8377	9.282	36	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.9780	2.492	4	112.9780	6.211	4	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NPtCH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NPtCH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.5960	0.000	1	111.5960	0.000	1	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NReHH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NReHH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	112.2610	0.000	1	112.2610	0.000	1	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NRuCC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.5141	4.757	15	115.5141	22.629	15	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnCC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.4142	0.777	6	114.4142	0.603	6	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.7650	4.538	2	114.7650	20.595	2	114.5722	7.686	135	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.9532	0.708	4	114.9532	0.501	4	114.9532	0.501	4	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(CC[6]HH)(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(CC[6]HH)(PO3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	112.7915	3.300	2	112.7915	10.890	2	112.7915	10.890	2	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHS)(H)2	C(CC[6]HH)(SO3)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CHHS)(H)2	C(CC[6]HH)(SO3)(H)2	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SCu2C)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SCu2C)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.7857	2.334	3	114.7857	5.447	3	114.7857	5.447	3	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH){1|C<4>,2|H<1>}	112.3295	2.060	2	112.3295	4.243	2	112.5910	2.327	3	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<4>}	113.1140	0.000	1	113.1140	0.000	1	112.5910	2.327	3	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]O[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]O[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	113.4980	0.956	2	113.4980	0.914	2	113.4980	0.914	2	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]2Cr)(CC[6]HH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]2Cr)(CC[6]HH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.2580	0.000	1	113.2580	0.000	1	113.2580	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]CuC)(CC[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]CuC)(CC[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.0615	1.070	2	114.0615	1.145	2	114.8050	3.394	4	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]NiC)(CC[6]HH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]NiC)(CC[6]HH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.5485	2.613	2	115.5485	6.827	2	114.8050	3.394	4	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CC[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CC[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	114.6940	0.361	2	114.6940	0.130	2	114.6940	0.130	2	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Cu)(CC[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Cu)(CC[6]HH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.3520	1.389	2	111.3520	1.929	2	112.0333	1.872	12	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Ni)(CC[6]HH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Ni)(CC[6]HH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.6510	0.443	2	113.6510	0.196	2	112.0333	1.872	12	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	113.0650	1.015	3	113.0650	1.030	3	112.0333	1.872	12	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]PdC)(CC[6]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]PdC)(CC[6]HH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.0398	0.728	5	111.0398	0.530	5	112.0333	1.872	12	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHS)(H)2	C(SC[6a]OO)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CHHS)(H)2	C(SC[6a]OO)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	113.9074	6.155	450	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C(C[6]C[4,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	C(C[6]C[4,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	115.3126	7.767	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	113.6730	0.000	1	113.6730	0.000	1	116.4075	14.955	2	115.3126	7.767	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.1420	0.000	1	119.1420	0.000	1	116.4075	14.955	2	115.3126	7.767	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	117.3550	0.000	1	117.3550	0.000	1	117.3550	0.000	1	115.3126	7.767	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH){1|C<3>,1|N<3>,2|O<2>,3|C<4>}	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	115.3126	7.767	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|O<2>,3|C<4>,4|H<1>}	115.8680	0.000	1	115.8680	0.000	1	114.6940	1.285	3	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	114.1070	0.709	2	114.1070	0.502	2	114.6940	1.285	3	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	113.5430	0.000	1	113.5430	0.000	1	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	113.4970	0.000	1	113.4970	0.000	1	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>}	111.7470	0.000	1	111.7470	0.000	1	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|N<3>,4|H<1>}	116.1090	0.000	1	116.1090	0.000	1	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	119.2510	0.000	1	118.1225	2.547	2	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	116.9940	0.000	1	118.1225	2.547	2	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	113.3780	0.000	1	113.3780	0.000	1	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH){4|C<3>}	116.2998	0.845	6	116.2998	0.713	6	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|C<4>}	106.6240	0.000	1	106.6240	0.000	1	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|N<3>,2|H<1>}	110.0825	1.873	2	110.0825	3.509	2	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,3|H<1>}	113.3190	0.000	1	113.3190	0.000	1	114.2604	10.633	17	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C(C[6]C[6]P[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH)	C(C[6]C[6]P[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH){2|C<4>,4|C<3>}	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	110.6040	0.000	1	110.6040	0.000	1	113.1802	3.210	5	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	113.8243	1.231	4	113.8243	1.515	4	113.1802	3.210	5	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	111.6270	2.373	2	111.6270	5.631	2	111.6270	5.631	2	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C(C[6]C[5,6]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH)	C(C[6]C[5,6]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH){3|C<3>,4|H<1>,5|C<4>}	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH)	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[3,6]C[5,6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[3,6]C[5,6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	112.4640	0.000	1	112.4640	0.000	1	113.9432	1.439	6	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	114.6903	0.407	4	114.6903	0.165	4	113.9432	1.439	6	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	112.4340	0.000	1	112.4340	0.000	1	113.9432	1.439	6	113.9672	6.878	36	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:1:1:	6:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	113.4570	0.000	1	113.4570	0.000	1	113.4570	0.000	1	113.4570	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHN)(H)2	C(CC[6]HH)(NCuHH)(COO)(H)	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHN)(H)2	C(CC[6]HH)(NCuHH)(COO)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	114.9490	0.243	2	114.9490	0.059	2	114.9490	0.059	2	112.8279	4.202	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHN)(H)2	C(CC[6]HH)(NH3)(COO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHN)(H)2	C(CC[6]HH)(NH3)(COO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	115.0670	0.000	1	115.0670	0.000	1	115.0670	0.000	1	112.8279	4.202	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	111.2215	0.668	2	111.2215	0.447	2	111.2215	0.447	2	112.8279	4.202	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(CNO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(CNO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	110.8830	0.000	1	110.8830	0.000	1	111.1935	0.193	2	112.8279	4.202	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(COO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(COO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.5040	0.000	1	111.5040	0.000	1	111.1935	0.193	2	112.8279	4.202	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:1:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CCCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	C(C[6]C[5,6]C[6])(CCCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:2:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCCO)(H)2	C(CC[6]HH)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCCO)(H)2	C(CC[6]HH)(CF3)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:3:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC3)(H)2	C(CC[6a]HH)(CC[6]HH)(CCO)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC3)(H)2	C(CC[6a]HH)(CC[6]HH)(CCO)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:4:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:O-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)2(OCr2)(CC3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)2(OCr2)(CC3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	119.6030	1.113	2	119.6030	1.239	2	118.9337	1.963	3	118.9337	1.963	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:3:4:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:O-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	117.5950	0.000	1	117.5950	0.000	1	118.9337	1.963	3	118.9337	1.963	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	C[6](C[6]C[6]O)2(CCHH){1|C<3>,1|N<3>,1|O<1>}	116.2200	0.000	1	116.2200	0.000	1	116.2200	0.000	1	114.7006	1.041	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	113.7800	0.000	1	113.7800	0.000	1	114.4660	0.941	2	114.7006	1.041	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	115.1520	0.000	1	115.1520	0.000	1	114.4660	0.941	2	114.7006	1.041	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	N[5,6]-3:C[6]-3:C-4:	C(C[6]N[5,6]C[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]N[5,6]C[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	113.9605	0.030	2	113.9605	0.001	2	113.9605	0.001	2	114.7006	1.041	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CCHH)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CCHH)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	115.2535	1.329	2	115.2535	1.765	2	115.2535	1.765	2	114.7006	1.041	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:P-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	114.7006	1.041	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:2:	3:2:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5a,6]-3:N[6]-2:C-4:	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C(CC[6]HH)(CF3)(CH3)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C(CC[6]HH)(CF3)(CH3)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(CH3)2(OP)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(CH3)2(OP)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	119.2670	0.000	1	119.2670	0.000	1	117.6807	2.071	3	117.0498	3.245	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(CH3)2(ORu)	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(CH3)2(ORu)	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	116.8875	0.606	2	116.8875	0.367	2	117.6807	2.071	3	117.0498	3.245	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(COPP)(H)2	C(CC[6]HH)(PO3)2(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(COPP)(H)2	C(CC[6]HH)(PO3)2(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	114.3930	0.000	1	114.3930	0.000	1	116.1035	5.852	2	117.0498	3.245	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:2:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(COPP)(H)2	C(CC[6]HH)(PO3)2(OH)	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(COPP)(H)2	C(CC[6]HH)(PO3)2(OH)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	117.8140	0.000	1	117.8140	0.000	1	116.1035	5.852	2	117.0498	3.245	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:3:	3:3:4:	C[6]-3:C-4:H-1:O-1:	C-4:C-4:C-4:C-3:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC3)(H)(O)	C(CC[6]HO)(CCHH)2(CCS)	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CC3)(H)(O)	C(CC[6]HO)(CCHH)2(CCS)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	115.6270	0.000	2	115.6270	0.000	2	115.6270	0.000	2	115.6270	0.000	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:3:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCCN)(H)2	C(CC[6]HH)(CH3)2(NOO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCCN)(H)2	C(CC[6]HH)(CH3)2(NOO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	116.8210	0.000	1	116.8210	0.000	1	116.8210	0.000	1	116.8210	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC3)(H)2	C(CC[6]HH)(CH3)3	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC3)(H)2	C(CC[6]HH)(CH3)3	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:1:1:	4:4:4:4:	4:3:4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	119.9070	0.000	1	119.9070	0.000	1	119.9070	0.000	1	119.9070	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	3:3:4:2:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	3:4:2:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,1|O<1>,2|C<4>}	109.0590	0.000	1	109.0590	0.000	1	110.4165	3.686	2	110.4165	3.686	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	3:4:2:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO){1|C<4>,1|O<1>,2|H<1>}	111.7740	0.000	1	111.7740	0.000	1	110.4165	3.686	2	110.4165	3.686	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	3:4:3:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	113.6310	0.191	2	113.6310	0.036	2	113.6310	0.036	2	113.6310	0.036	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	3:4:4:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C-4:N-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C[6](C[6]C[6]H)2(CCHO){1|N<3>,2|H<1>}	111.6945	0.148	2	111.6945	0.022	2	111.6945	0.022	2	111.6945	0.022	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CF3)(OPd)(H)	C(CC[6]HO)(F)3	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CF3)(OPd)(H)	C(CC[6]HO)(F)3	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	111.3492	5.054	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(OH)(H)	C(CC[6]HO)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO)	C(C[6]C[6]2)(CH3)(OH)(H)	C(CC[6]HO)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO){3|C<3>}	112.4075	2.880	2	112.4075	8.295	2	112.4075	8.295	2	111.3492	5.054	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHO){1|H<1>,2|C<3>}	110.2920	0.000	1	110.2920	0.000	1	111.7507	1.610	3	111.3492	5.054	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(ON)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCHO)	C(C[6]C[6]N[6])(CH3)(ON)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCHO){1|Zn<6>,1|C<3>,1|H<1>}	112.4800	0.170	2	112.4800	0.029	2	111.7507	1.610	3	111.3492	5.054	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CH3)(OC)(H)	C(CC[6]HO)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)	C(C[6]C[6]2)(CH3)(OC)(H)	C(CC[6]HO)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:1:1:1:	4:2:4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO){1|C<4>,2|C<3>,2|H<1>}	110.8910	0.539	2	110.8910	0.290	2	110.8910	0.290	2	110.8910	0.290	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:3:1:1:	3:4:4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO){2|C<3>}	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:3:2:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO)	C(C[6]C[6]2)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:As-2:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-2:C-4:	C(C[6]N[6]2)(CCHH)(AsN)(H)	C(CC[6]AsH)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH)	C(C[6]N[6]2)(CCHH)(AsN)(H)	C(CC[6]AsH)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH){1|C<4>,4|H<1>}	115.5920	0.000	1	115.5920	0.000	1	115.5920	0.000	1	115.5920	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.4450	0.164	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	111.1590	0.000	1	111.1590	0.000	1	111.1590	0.000	1	111.4450	0.164	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.5650	0.000	1	114.5650	0.000	1	115.0420	0.455	2	115.0420	0.455	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){2|C<4>,3|H<1>}	115.5190	0.000	1	115.5190	0.000	1	115.0420	0.455	2	115.0420	0.455	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:2:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	111.6050	0.000	1	111.6050	0.000	1	112.8950	3.276	3	112.8950	3.276	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:2:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|O<2>,2|C<4>,2|H<1>}	112.1160	0.000	1	112.1160	0.000	1	112.8950	3.276	3	112.8950	3.276	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:2:1:	4:3:4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|O<2>,2|C<4>,2|H<1>}	114.9640	0.000	1	114.9640	0.000	1	112.8950	3.276	3	112.8950	3.276	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:4:1:	3:2:4:	C[6]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CC[6]HO)(NCHH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHO)	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CC[6]HO)(NCHH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHO){1|C<3>,1|H<1>}	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	113.0010	0.000	1	113.0010	0.000	1	113.0010	0.000	1	112.6225	0.287	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CC[6]HO)(NCHH)(CH3)(H)	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CC[6]HO)(NCHH)(CH3)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	112.6225	0.287	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:2:	3:4:1:1:	3:3:4:	C[6]-3:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3)	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3){1|C<4>,2|C<3>,3|H<1>}	114.2020	0.004	2	114.2020	0.000	2	114.2020	0.000	2	114.2020	0.000	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(OC)2	C(CC[6]OO)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO)	C(C[6]C[6]N[6])(CH3)(OC)2	C(CC[6]OO)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	110.1450	0.557	2	110.1450	0.310	2	110.1450	0.310	2	110.4090	0.364	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:2:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(OC)2	C(CC[6]OO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO)	C(C[6]C[6]N[6])(CH3)(OC)2	C(CC[6]OO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	110.4090	0.364	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	3:3:4:1:	3:2:4:	C[6]-3:C-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(CC[6]HN)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(CC[6]HN)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,1|H<1>}	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH)	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	3:4:3:1:	3:3:4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C-4:N-3:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	110.9147	2.417	3	110.9147	5.843	3	110.9147	5.843	3	110.9147	5.843	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C(C[6]C[6]2)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,2|H<1>}	113.7210	0.000	2	113.7210	0.000	2	113.7210	0.000	2	113.7210	0.000	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CF3)(COO)(H)	C(CC[6]CH)(F)3	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH)	C(C[6]C[6]2)(CF3)(COO)(H)	C(CC[6]CH)(F)3	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH){1|C<4>,3|C<3>}	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	113.1860	6.437	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(CHH)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)(CHH)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<4>,4|H<1>}	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	113.1860	6.437	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(CHH)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)(CHH)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.7140	0.000	1	112.7140	0.000	1	113.1067	6.639	3	112.9098	4.581	4	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(CNO)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)(CNO)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	113.3030	3.612	2	113.3030	13.046	2	113.1067	6.639	3	112.9098	4.581	4	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(NHS)(H)	C(CC[6]HN)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C(C[6]C[6]2)(CH3)(NHS)(H)	C(CC[6]HN)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<4>,4|H<1>}	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	112.9098	4.581	4	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:3:1:1:	3:2:4:	C[6]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C(CC[6]HN)(COO)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CCHN)	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C(CC[6]HN)(COO)(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CCHN){1|C<3>,1|H<1>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	109.8135	1.814	2	109.8135	3.290	2	112.2864	3.200	11	112.2864	3.200	11	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	113.2980	0.000	1	113.2980	0.000	1	112.2864	3.200	11	112.2864	3.200	11	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	112.7280	0.000	1	112.7280	0.000	1	112.2864	3.200	11	112.2864	3.200	11	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	111.3235	0.040	2	111.3235	0.002	2	112.2864	3.200	11	112.2864	3.200	11	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	113.1030	0.000	1	113.1030	0.000	1	112.2864	3.200	11	112.2864	3.200	11	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	C(CC[6]HO)(CCO)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	113.4367	1.575	4	113.4367	2.481	4	112.2864	3.200	11	112.2864	3.200	11	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:4:1:1:	2:2:4:	C[6]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	C[6](N[6]C[6])(O[6]C[6])(CCHN)	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	C[6](N[6]C[6])(O[6]C[6])(CCHN){1|C<3>,2|C<4>,2|H<1>}	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CNO)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCHH)(CNO)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CH3)(CNS)(OH)	C(CC[6]CO)(H)3	C[6](N[6]C[6]H)2(CCCO)	C(C[6]N[6]2)(CH3)(CNS)(OH)	C(CC[6]CO)(H)3	C[6](N[6]C[6]H)2(CCCO){1|C<4>,4|H<1>}	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:2:	4:4:1:1:	3:3:4:	C[6]-3:C-4:O-3:O-2:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	C(CC[6]CO)(CC[6]OO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCOO)	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	C(CC[6]CO)(CC[6]OO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCOO){1|C<3>,2|H<1>}	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:3:	3:4:1:1:	4:3:4:	C[6]-3:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(COO)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(COO)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>,2|H<1>}	111.9130	0.143	2	111.9130	0.020	2	111.9130	0.020	2	111.9130	0.020	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:3:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)(COO)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)(COO)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	112.9425	0.333	2	112.9425	0.111	2	112.9425	0.111	2	112.9425	0.111	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:O-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	108.7505	0.643	2	108.7505	0.413	2	109.2743	1.030	3	109.2743	1.030	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:O-3:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	110.3220	0.000	1	110.3220	0.000	1	109.2743	1.030	3	109.2743	1.030	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:O-3:C-4:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C(CC[6]CO)2(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C(CC[6]CO)2(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	115.1645	0.250	2	115.1645	0.062	2	114.0787	3.568	3	114.0787	3.568	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:3:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:O-3:C-4:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C(CC[6]CO)(CC[6]OO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C(CC[6]CO)(CC[6]OO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	111.9070	0.000	1	111.9070	0.000	1	114.0787	3.568	3	114.0787	3.568	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	3:4:1:1:	3:3:4:	C[6]-3:C-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	3:4:2:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH){4|C<3>}	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	3:4:2:1:	3:3:4:	C[6]-3:C-4:N-4:H-1:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C[6](C[6]C[6]H)2(CCHN)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C[6](C[6]C[6]H)2(CCHN){1|N<3>,2|H<1>}	110.2625	1.293	2	110.2625	1.673	2	110.2625	1.673	2	108.9353	6.120	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	3:4:2:1:	3:3:4:	C[6]-3:C-4:P-4:H-1:	C[6a]-3:C-4:O-2:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	C(C[6a]C[6a]2)(CC[6]HP)(OMn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	C(C[6a]C[6a]2)(CC[6]HP)(OMn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	106.2810	0.000	1	106.2810	0.000	1	106.2810	0.000	1	108.9353	6.120	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	3:4:3:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH)	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH){1|B<4>,2|H<1>,4|C<3>}	110.9440	0.000	1	110.9440	0.000	1	110.9440	0.000	1	110.9440	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	3:4:4:1:	3:3:4:	C[6]-3:P-4:C-4:H-1:	C[6a]-3:P-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	115.5800	0.000	1	115.5800	0.000	1	115.5800	0.000	1	115.5800	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	2:2:4:	C[6]-3:C-4:C-4:Br-1:	C-4:H-1:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	C(CC[6]BrC)(H)3	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC)	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	C(CC[6]BrC)(H)3	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC){1|C<4>,3|C<3>}	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	111.6783	2.365	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	2:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-2:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6])2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6])2(CCCH){1|C<3>,2|C<4>}	111.6440	0.236	4	111.6440	0.056	4	111.6440	0.056	4	111.6783	2.365	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	2:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C(C[6]N[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6])(O[6]C[6])(CCCH)	C(C[6]N[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6])(O[6]C[6])(CCCH){2|C<4>,3|H<1>}	110.5565	2.415	2	110.5565	5.831	2	110.5565	5.831	2	111.6783	2.365	7	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	2:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-2:N[6]-3:C-4:	C(C[6]N[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a])(N[6]C[6]Pd)(CCCH)	C(C[6]N[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a])(N[6]C[6]Pd)(CCCH){3|C<3>}	111.2087	2.641	6	111.2087	6.976	6	111.2087	6.976	6	111.2087	6.976	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	112.0975	2.573	4	112.0975	6.620	4	112.0007	3.650	14	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.7100	1.058	2	112.2013	6.003	4	112.0007	3.650	14	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,2|C<4>}	111.6925	3.982	2	112.2013	6.003	4	112.0007	3.650	14	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	112.2010	1.694	2	112.2010	2.870	2	112.0007	3.650	14	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	111.6033	1.391	4	111.6033	1.935	4	112.0007	3.650	14	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[5,6]O)(N[6]C[6])(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[5,6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|O<2>}	110.5050	1.606	4	110.5050	2.579	4	110.2023	2.981	20	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CCCH){1|C<3>,1|N<3>}	110.3822	1.703	8	110.3822	2.901	8	110.2023	2.981	20	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CCCH){1|Pd<4>,1|C<3>}	109.8711	1.967	8	109.8711	3.871	8	110.2023	2.981	20	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH){1|C<3>,1|C<4>,2|H<1>}	112.2320	0.000	1	112.2320	0.000	1	111.7541	1.916	7	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	110.7610	0.000	1	110.7610	0.000	1	111.7541	1.916	7	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH){1|C<3>,2|C<4>,2|H<1>}	111.4390	2.031	2	111.4390	4.124	2	111.7541	1.916	7	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH){2|C<3>,2|H<1>}	111.3295	1.272	2	111.3295	1.618	2	111.7541	1.916	7	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CCCH){1|C<3>,1|N<3>,3|H<1>}	113.7490	0.000	1	113.7490	0.000	1	111.7541	1.916	7	111.0814	3.651	41	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(C)	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)2(C)	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	110.0415	1.795	2	110.0415	3.223	2	110.0415	3.223	2	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C(C[6]C[5,6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH)	C(C[6]C[5,6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	112.6935	3.911	2	112.6935	15.296	2	112.6935	15.296	2	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH)	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH){1|O<2>,5|C<4>}	112.0140	3.050	2	112.0140	9.305	2	111.4782	2.144	6	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH)	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH){1|Ge<4>,1|H<1>,2|C<3>,2|C<4>}	111.3460	0.536	2	111.3460	0.287	2	111.4782	2.144	6	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH)	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH){1|Al<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	111.0745	0.441	2	111.0745	0.194	2	111.4782	2.144	6	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH)	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH){1|B<4>,2|H<1>,4|C<3>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-3:N[6]-3:C-4:	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH)	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH){1|C<3>,1|O<1>,2|C<4>}	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	112.5565	1.716	2	112.5565	2.945	2	112.4149	5.460	14	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	111.7275	3.641	2	111.7275	13.256	2	112.4149	5.460	14	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,3|C<3>}	112.7488	2.526	8	112.7488	6.379	8	112.4149	5.460	14	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,4|C<3>}	111.6255	2.645	2	111.6255	6.998	2	112.4149	5.460	14	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	113.0335	0.853	2	113.0335	0.728	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	112.8440	3.164	2	112.8440	10.008	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	111.4927	1.761	6	111.4927	3.102	6	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,2|O<2>}	112.8120	0.584	2	112.8120	0.341	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	112.5595	1.406	2	112.5595	1.978	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	112.0520	1.018	4	112.0520	1.037	4	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH){1|O<2>,2|C<3>}	111.6050	2.348	2	111.6050	5.511	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	112.4125	1.546	2	112.1055	2.417	8	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	112.0032	1.690	6	112.1055	2.417	8	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	111.7803	1.618	6	111.7615	1.994	8	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	111.7050	0.922	2	111.7615	1.994	8	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH){1|Br<1>,1|C<3>,1|O<1>}	112.1700	0.552	2	112.1700	0.304	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,1|C<4>,1|H<1>}	112.2705	0.105	2	113.2700	3.260	6	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,2|C<4>}	113.2350	1.062	2	113.2700	3.260	6	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|Ni<4>,1|H<1>,2|C<4>}	114.3045	3.320	2	113.2700	3.260	6	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	112.0305	1.241	4	111.7881	2.760	8	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,2|C<3>}	111.5457	2.178	4	111.7881	2.760	8	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH){1|Ni<4>,1|C<3>,2|C<4>}	112.8880	2.506	2	112.8880	6.280	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)2(CCCH){1|B<3>,2|H<1>}	112.5712	1.488	4	112.0178	1.461	32	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)2(CCCH){1|Cu<5>,3|C<4>}	113.0825	1.845	2	112.0178	1.461	32	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)2(CCCH){1|Pd<5>,3|C<4>}	112.0595	1.091	2	112.0178	1.461	32	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)2(CCCH){3|C<4>}	111.8334	1.137	24	112.0178	1.461	32	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	112.0965	1.529	2	112.0965	2.339	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH){1|Li<5>,1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	111.0480	0.892	2	111.0480	0.796	2	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]O)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]O)2(CCCH){1|O<1>,2|C<3>}	111.8688	0.357	6	111.8688	0.128	6	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Fe<9>,2|C<3>,2|C<4>}	111.9335	0.006	2	112.2903	0.787	6	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Pd<4>,1|H<1>,2|C<3>,2|C<4>}	112.8210	1.666	2	112.2903	0.787	6	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	112.1165	0.528	2	112.2903	0.787	6	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,3|C<3>}	112.6817	0.495	4	112.6817	0.245	4	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH){1|C<3>,1|H<1>}	112.6262	1.707	4	112.6262	2.915	4	112.1354	1.800	110	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	111.0667	1.131	4	111.0667	1.280	4	111.0968	2.694	16	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH){1|C<3>,2|H<1>}	111.5315	1.590	2	111.5315	2.529	2	111.0968	2.694	16	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|Se<1>,1|N<3>,1|O<1>}	111.0218	1.932	10	111.0218	3.733	10	111.0968	2.694	16	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	113.6200	0.075	2	113.6200	0.006	2	112.1281	3.489	29	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	112.2510	0.496	2	112.2510	0.246	2	112.1281	3.489	29	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	111.4471	1.994	12	111.4471	3.977	12	112.1281	3.489	29	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	112.2465	0.110	2	112.2465	0.012	2	112.1281	3.489	29	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH){1|O<1>,2|C<3>}	112.5450	0.000	1	112.5450	0.000	1	112.1281	3.489	29	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	111.3710	2.024	6	111.3710	4.096	6	112.1281	3.489	29	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH){1|C<3>,2|H<1>}	114.3360	0.069	4	114.3360	0.005	4	112.1281	3.489	29	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(C[6]N[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6]H)2(CCCH)	C(C[6]N[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](N[6]C[6]H)2(CCCH){1|C<3>,1|C<4>,1|O<1>}	110.4393	1.098	4	110.4393	1.206	4	110.4393	1.206	4	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	C[6](C[6]C[6]H)2(CCHN)	C(C[6]C[6]2)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	C[6](C[6]C[6]H)2(CCHN){1|C<3>,3|H<1>}	113.9510	0.000	1	113.9510	0.000	1	113.9510	0.000	1	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	109.6258	0.512	4	109.6258	0.262	4	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	112.9690	0.000	1	112.9690	0.000	1	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	113.3460	0.000	1	113.3460	0.000	1	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	110.4330	1.433	2	110.4330	2.052	2	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	114.6085	0.439	2	114.6085	0.193	2	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	114.2200	0.375	2	114.2200	0.140	2	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	113.4868	0.385	4	113.4868	0.148	4	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	110.3648	0.876	4	110.3648	0.767	4	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	116.7310	0.000	1	116.7310	0.000	1	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	110.4922	2.586	4	110.4922	6.690	4	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	108.3320	0.000	1	109.5633	2.334	3	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C(CC[6]HN)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	110.1790	1.547	2	109.5633	2.334	3	111.6478	5.544	28	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6]-3:O-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	C(CC[6]HO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	109.3425	0.595	2	109.3425	0.354	2	109.3425	0.354	2	111.9176	3.009	217	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH)	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH){1|C<3>,1|S<4>,4|C<4>}	111.9825	2.941	2	111.9825	8.649	2	111.2745	2.280	6	111.8119	3.607	23	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH)	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	110.9205	0.645	4	110.9205	0.416	4	111.2745	2.280	6	111.8119	3.607	23	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	109.9500	0.000	1	109.9500	0.000	1	112.0016	4.100	17	111.8119	3.607	23	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	112.5368	2.942	6	112.5368	8.658	6	112.0016	4.100	17	111.8119	3.607	23	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	111.7537	0.831	4	111.7537	0.691	4	112.0016	4.100	17	111.8119	3.607	23	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.8990	2.129	4	111.9735	2.813	6	112.0016	4.100	17	111.8119	3.607	23	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	112.1225	0.634	2	111.9735	2.813	6	112.0016	4.100	17	111.8119	3.607	23	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,3|H<1>}	114.4880	0.000	1	114.4880	0.000	1	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,2|C<4>}	111.9065	2.460	2	111.9065	6.052	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	112.3250	1.928	6	112.3250	3.719	6	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]2Fe)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]2Fe)(C[6]C[6]H)(CCCH){1|C<3>,3|C<4>}	111.2240	0.363	2	111.2240	0.132	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>}	111.1565	1.609	2	111.1565	2.588	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.3991	1.551	12	112.3991	2.407	12	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]CoN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]CoN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.8670	3.147	2	111.8670	9.901	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.0550	0.879	11	112.0550	0.773	11	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]ErN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]ErN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.5310	0.979	8	112.5310	0.959	8	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	112.7333	1.691	3	112.1148	2.155	5	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	111.1870	0.173	2	112.1148	2.155	5	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH){1|C<3>,2|C<4>,2|H<1>}	112.4292	0.797	4	112.4292	0.636	4	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.5085	2.081	8	111.5085	4.329	8	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.7060	0.538	4	112.7060	0.290	4	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.4403	1.039	4	112.4403	1.079	4	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.9086	1.949	36	111.9086	3.797	36	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[5]Li)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[5]Li)(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	111.4665	2.812	2	111.4665	7.908	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[5]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]N[5]Pd)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	111.7930	1.788	2	111.7930	3.195	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.9527	1.699	6	111.9527	2.885	6	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.6121	0.823	12	111.6121	0.678	12	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NiH)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NiH)(C[6]C[6]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.1015	0.252	2	112.1015	0.064	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NiN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]NiN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.6142	2.068	4	111.6142	4.277	4	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.7711	1.338	8	112.7711	1.790	8	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]SrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]SrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.9674	1.297	16	111.9674	1.682	16	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.9372	1.207	8	111.9372	1.456	8	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]YbH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]YbH)(C[6]C[6]H)(CCCH){3|C<4>}	111.8695	4.399	2	111.8695	19.350	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.0885	1.235	8	112.0885	1.525	8	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.8803	2.424	12	111.8803	5.874	12	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	112.0630	2.078	4	111.8003	1.938	8	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	111.5375	0.147	4	111.8003	1.938	8	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	111.2927	1.172	4	111.2927	1.373	4	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	112.3305	2.360	2	112.3305	5.568	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	112.1265	0.499	2	112.2150	1.405	4	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>,3|C<4>}	112.3035	1.983	2	112.2150	1.405	4	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<3>,4|C<4>}	110.5840	1.984	2	111.4933	1.006	49	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	111.5320	0.963	47	111.4933	1.006	49	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CCCH){2|C<4>,5|C<3>}	114.7770	0.942	2	114.7770	0.887	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Pt)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Pt)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	111.4592	1.153	4	111.4592	1.329	4	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Yb)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C[6](C[6]C[6a]C[6]Yb)(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	111.4845	2.027	2	111.4845	4.110	2	111.9283	2.236	264	111.9315	2.230	265	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:2:1:1:	2:2:4:	C[6]-3:C-4:C-4:Br-1:	C-4:N-2:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	C(CC[6]BrC)(NN)(H)2	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC)	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	C(CC[6]BrC)(NN)(H)2	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC){1|C<4>,3|C<3>}	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:2:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(OSi)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(OSi)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(CCCH){1|C<3>,1|N<3>,3|H<1>}	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:1:1:	3:2:4:	C[6]-3:C-4:P-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CCHH)(PO3)(H)	C(CC[6]HP)(COO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHP)	C(C[6]C[6]2)(CCHH)(PO3)(H)	C(CC[6]HP)(COO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CCHP){1|C<3>,2|H<1>}	114.4120	0.000	1	114.4120	0.000	1	114.4120	0.000	1	114.4120	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	110.4905	1.989	2	110.4905	3.956	2	110.4905	3.956	2	110.7523	4.430	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(NCaC)(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(NCaC)(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH){1|C<3>,2|H<1>}	109.4605	0.151	4	109.4605	0.023	4	109.4605	0.023	4	110.7523	4.430	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP)	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP){1|C<3>,1|H<1>,1|O<1>}	114.5410	0.000	1	114.5410	0.000	1	114.5410	0.000	1	110.7523	4.430	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	113.7580	0.000	1	113.7580	0.000	1	111.7035	8.442	2	110.7523	4.430	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C(CC[6]HP)(CNO)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C(CC[6]HP)(CNO)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	109.6490	0.000	1	109.6490	0.000	1	111.7035	8.442	2	110.7523	4.430	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:2:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(CNO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(CNO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,3|H<1>}	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCCH)2(H)	C(CC[6]CH)(COO)2(H)	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CCCH)2(H)	C(CC[6]CH)(COO)2(H)	C[6](C[6]C[6]H)2(CCCH){1|N<3>,2|H<1>}	110.4270	3.561	2	110.4270	12.681	2	110.4270	12.681	2	110.4270	12.681	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:3:3:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6]CH)(CNO)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6]CH)(CNO)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH){1|C<3>,1|C<4>,2|H<1>}	109.9030	0.000	1	109.9030	0.000	1	109.9430	0.003	2	109.9430	0.003	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH){4|C<3>}	109.9830	0.000	1	109.9830	0.000	1	109.9430	0.003	2	109.9430	0.003	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	103.5830	0.000	1	103.5830	0.000	1	103.5830	0.000	1	109.1925	10.466	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-3:N[6]-3:C-4:	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH)	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH){1|C<3>,1|O<1>,2|C<4>}	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	109.1925	10.466	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	109.2395	0.332	2	109.2395	0.110	2	109.5618	1.080	4	109.1925	10.466	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	109.8840	1.648	2	109.8840	2.714	2	109.5618	1.080	4	109.1925	10.466	6	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	113.6390	0.000	1	113.6390	0.000	1	113.6390	0.000	1	113.6390	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	110.7610	14.301	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:1:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CC[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CC[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	113.4350	0.000	1	113.4350	0.000	1	113.4350	0.000	1	110.7610	14.301	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:2:1:	3:2:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OH)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:2:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	115.8750	0.001	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C(CC[6]HN)(CH3)2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C(CC[6]HN)(CH3)2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	115.8960	0.000	1	115.8960	0.000	1	115.8960	0.000	1	115.8750	0.001	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:4:1:	4:3:4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	113.0300	0.000	1	113.0300	0.000	1	113.0300	0.000	1	113.0300	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6]-3:N-4:C-4:H-1:	C-4:C-4:C-4:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C(CC[6]HN)(CH3)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C(CC[6]HN)(CH3)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	119.6920	0.000	1	119.6920	0.000	1	119.6920	0.000	1	119.6920	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	3:4:1:1:	4:3:4:	C[6]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO)	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO){1|C<4>,2|H<1>}	112.7550	0.000	2	112.7550	0.000	2	112.7550	0.000	2	112.7550	0.000	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	3:4:3:1:	4:3:4:	C[6]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO)	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO){1|C<4>,2|H<1>}	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CF3)2(OPt)	C(CC[6]CO)(F)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CF3)2(OPt)	C(CC[6]CO)(F)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	109.2752	0.439	6	109.2752	0.193	6	109.2752	0.193	6	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	112.7233	0.323	3	112.7233	0.104	3	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	106.5900	0.000	1	106.5900	0.000	1	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	106.7110	0.000	1	106.7110	0.000	1	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(OIr)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OIr)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	109.8970	1.422	76	109.8970	2.022	76	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(ONi)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(ONi)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	109.6333	0.854	4	109.6333	0.729	4	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,1|C<4>,1|H<1>}	113.1420	0.861	2	112.7688	0.589	4	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	112.3955	0.684	2	112.7688	0.589	4	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO){1|C<3>,1|C<4>,1|H<1>}	111.8915	0.864	6	111.8915	0.746	6	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(ORh)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(ORh)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	108.7292	1.433	6	108.7292	2.055	6	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)2(ORu)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(ORu)	C(CC[6]CO)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	109.6312	1.424	4	109.6312	2.029	4	110.0524	2.731	105	110.0104	2.622	111	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO)	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO){1|C<3>,2|C<4>,2|H<1>}	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(CC[6]CO)(F)3	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO)	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(CC[6]CO)(F)3	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO){1|C<4>,2|H<1>}	108.7730	0.000	1	108.7730	0.000	1	109.5317	0.432	3	109.5317	0.432	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(CC[6]CO)(F)3	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO)	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(CC[6]CO)(F)3	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO){1|C<4>,2|H<1>}	109.9110	0.000	2	109.9110	0.000	2	109.5317	0.432	3	109.5317	0.432	3	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:2:1:1:	3:4:4:	C[6]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO)	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO){1|C<3>,2|C<4>,2|H<1>}	112.6420	0.000	1	112.6420	0.000	1	112.6420	0.000	1	112.6420	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(CC[6]CO)2(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(CC[6]CO)2(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	109.0683	0.971	3	109.0683	0.943	3	110.4020	3.814	5	110.4020	3.814	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C(CC[6a]CO)(CC[6]CO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C(CC[6a]CO)(CC[6]CO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	112.2780	0.000	1	112.2780	0.000	1	110.4020	3.814	5	110.4020	3.814	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:2:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C(CC[6a]CO)(CC[6]CO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C(CC[6a]CO)(CC[6]CO)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	112.5270	0.000	1	112.5270	0.000	1	110.4020	3.814	5	110.4020	3.814	5	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:3:	3:4:1:1:	3:4:4:	C[6]-3:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){2|H<1>,4|C<3>}	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:3:	4:1:1:1:	2:2:4:	C[6]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	N[6]-2:O[6]-2:C-4:	C(C[6]N[6]O[6])(CH3)2(NCH)	C(CC[6]CN)(H)3	C[6](N[6]C[6])(O[6]C[6])(CCCN)	C(C[6]N[6]O[6])(CH3)2(NCH)	C(CC[6]CN)(H)3	C[6](N[6]C[6])(O[6]C[6])(CCCN){1|C<4>,4|H<1>}	109.4215	0.441	2	109.4215	0.194	2	109.4215	0.194	2	109.4215	0.194	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:3:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(COO)	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)2(COO)	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	109.9005	1.883	2	109.9005	3.546	2	109.9005	3.546	2	109.9005	3.546	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:3:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){2|H<1>,4|C<3>}	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:3:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)2(CHH)	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)2(CHH)	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.6285	2.535	2	110.6285	6.426	2	110.6285	6.426	2	110.6285	6.426	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-3:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C(CC[6]CO)2(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C(CC[6]CO)2(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	116.3150	0.000	1	116.3150	0.000	1	112.5385	28.524	2	112.5385	28.524	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-3:	C-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C(CC[6a]CO)(CC[6]CO)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C(CC[6a]CO)(CC[6]CO)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	108.7620	0.000	1	108.7620	0.000	1	112.5385	28.524	2	112.5385	28.524	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	3:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	2:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-2:N[6]-2:C-4:	C(C[6]N[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6,6a])(N[6]N[6])(CC3)	C(C[6]N[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6,6a])(N[6]N[6])(CC3){3|C<3>}	109.9139	1.910	9	109.9139	3.650	9	109.9139	3.650	9	109.8581	4.699	15	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	2:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[6]-2:N[6]-2:C-4:	C(C[6]N[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](O[6]Si[6,6])(N[6]N[6])(CC3)	C(C[6]N[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](O[6]Si[6,6])(N[6]N[6])(CC3){1|Cl<1>,1|O<2>,4|C<4>}	109.1253	3.188	3	109.1253	10.164	3	109.1253	10.164	3	109.8581	4.699	15	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	2:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-2:P[6]-2:C-4:	C(C[6]P[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](P[6]C[6])2(CC3)	C(C[6]P[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](P[6]C[6])2(CC3){1|P<3>,2|C<4>}	110.4233	2.613	3	110.4233	6.828	3	110.4233	6.828	3	109.8581	4.699	15	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	2:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3){1|C<4>,1|N<2>,4|N<3>}	109.5460	3.150	6	109.5776	8.123	9	109.5776	8.123	9	109.5776	8.123	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	2:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3){1|Cl<1>,1|C<4>,5|N<3>}	109.6407	2.770	3	109.5776	8.123	9	109.5776	8.123	9	109.5776	8.123	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|Ir<6>,1|C<3>,1|H<1>}	110.0990	2.129	3	110.0990	4.532	3	111.5732	6.821	21	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	111.8189	2.654	18	111.8189	7.044	18	111.5732	6.821	21	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(N[6]Si[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(N[6]Si[6])(CC3){1|C<3>,3|C<4>}	110.4790	2.134	3	110.4790	4.556	3	109.5182	2.611	91	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6])(CC3){1|N<3>,2|C<3>}	109.5393	2.208	3	109.5393	4.875	3	109.5182	2.611	91	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|B<4>,1|C<3>,1|C<4>}	109.4972	1.583	44	109.4784	2.630	82	109.5182	2.611	91	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|B<4>,1|C<3>,1|H<1>}	109.3430	1.176	17	109.4784	2.630	82	109.5182	2.611	91	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|C<3>,1|C<4>,1|H<1>}	109.4417	2.323	12	109.4784	2.630	82	109.5182	2.611	91	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|C<3>,2|H<1>}	109.6902	1.987	6	109.4784	2.630	82	109.5182	2.611	91	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|Re<6>,1|C<3>,1|H<1>}	109.6920	1.301	3	109.4784	2.630	82	109.5182	2.611	91	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]N[6]O)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]N[6]O)(N[6]N[6])(CC3){1|C<3>,1|H<1>,1|N<3>}	109.6257	0.206	3	109.6257	0.042	3	109.5182	2.611	91	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]C[6a])(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]C[6a])(O[6]C[6])(CC3){1|N<2>,4|C<3>}	110.3460	0.844	3	110.3460	0.712	3	109.6264	1.455	77	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]H)(O[6]C[6])(CC3){1|S<1>,2|C<3>}	109.3032	0.831	6	109.3032	0.691	6	109.6264	1.455	77	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CC3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	109.7893	1.482	3	109.7893	2.195	3	109.6264	1.455	77	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	109.6193	1.258	62	109.6155	1.548	65	109.6264	1.455	77	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CC3){3|C<3>}	109.5377	1.111	3	109.6155	1.548	65	109.6264	1.455	77	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-3:P[6]-2:C-4:	C(C[6]P[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](P[6]C[6]Au)(P[6]C[6])(CC3)	C(C[6]P[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](P[6]C[6]Au)(P[6]C[6])(CC3){1|P<2>,2|C<4>}	110.7260	1.396	6	110.7260	1.948	6	110.7260	1.948	6	109.8194	2.950	195	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(C[6]C[5,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3)	C(C[6]C[5,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,1|P<4>,2|C<4>}	110.3330	0.570	3	110.3330	0.325	3	110.3330	0.325	3	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C(C[6]C[5a,6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(CC3)	C(C[6]C[5a,6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(CC3){1|B<4>,2|H<1>,4|C<3>}	111.5213	5.316	3	111.5213	28.259	3	111.5213	28.259	3	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C(C[6]C[6,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|Nd<21>,1|C<3>,1|N<3>,2|C<4>}	110.7278	1.690	16	110.6115	2.375	28	110.6115	2.375	28	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C(C[6]C[6,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C(C[6]C[6,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|W<14>,1|C<3>,1|N<3>,2|C<4>}	110.4566	1.374	12	110.6115	2.375	28	110.6115	2.375	28	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(C[6]C[6,6a]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3)	C(C[6]C[6,6a]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3){1|H<1>,4|C<3>}	111.3800	1.327	3	111.3800	1.761	3	111.3800	1.761	3	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	109.7560	0.467	2	109.7560	0.218	2	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	110.5510	2.779	2	110.5510	7.722	2	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|H<1>}	109.7445	3.020	2	110.0522	6.126	6	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|S<3>}	110.2060	2.660	4	110.0522	6.126	6	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	109.1700	4.677	2	109.1700	21.872	2	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	110.4323	0.889	24	110.4323	0.790	24	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3){5|C<4>}	110.1683	0.999	3	110.1683	0.998	3	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3){2|O<2>,3|C<4>}	110.1663	1.879	3	110.1663	3.531	3	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	110.0717	1.874	9	110.1342	3.048	146	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	109.8329	2.235	18	110.1342	3.048	146	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,2|C<4>}	110.0680	2.092	3	110.1342	3.048	146	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	109.9882	1.664	6	110.1342	3.048	146	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Hf<13>,1|H<1>,2|C<4>}	109.9885	1.539	27	110.1342	3.048	146	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<12>,1|C<3>,2|C<4>}	110.6740	1.393	3	110.1342	3.048	146	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	110.2129	1.736	74	110.1342	3.048	146	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<9>,1|C<3>,2|C<4>}	110.7257	1.729	6	110.1342	3.048	146	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,2|C<4>}	110.3508	0.638	6	110.3862	0.643	84	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	110.4390	0.858	30	110.3862	0.643	84	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	110.3128	0.685	36	110.3862	0.643	84	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	110.4917	1.096	12	110.3862	0.643	84	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)2(CC3){1|N<3>,2|C<3>}	109.5557	2.633	3	109.5557	6.933	3	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<2>}	110.0583	1.450	6	110.0014	1.383	9	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<3>}	109.8877	0.500	3	110.0014	1.383	9	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3){1|C<4>,1|C<6>,4|B<6>}	109.9013	1.585	6	109.9013	2.513	6	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,2|S<2>}	110.1617	1.978	3	110.5419	3.288	9	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|Th<17>,1|N<3>,2|C<4>}	110.7320	1.888	6	110.5419	3.288	9	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	110.4379	0.875	12	110.6060	0.649	23	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	110.7895	0.717	11	110.6060	0.649	23	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	110.2475	1.619	18	110.2475	2.622	18	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	109.9542	0.743	6	109.9542	0.552	6	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	111.1922	1.094	12	111.1882	0.951	18	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|Zr<16>,1|O<2>,2|C<4>}	111.1802	0.774	6	111.1882	0.951	18	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,1|H<1>}	111.0027	1.175	3	110.6718	0.837	9	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,3|C<4>}	110.5063	0.830	6	110.6718	0.837	9	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Bi<4>,1|C<3>,1|C<4>}	110.7302	1.419	6	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	110.6142	1.813	6	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	110.4411	0.801	31	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.4982	1.516	9	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	110.2517	1.331	24	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	110.9800	3.388	6	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	110.7900	0.963	11	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<3>}	110.9703	1.100	6	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	110.4420	1.026	32	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,1|O<1>}	110.3580	0.576	3	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|O<2>,2|C<4>}	110.4903	0.889	6	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|S<4>,2|C<4>}	110.4778	0.996	6	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	110.8253	1.586	92	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	110.6090	0.829	6	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	110.5758	0.947	122	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<1>,2|C<3>}	110.7803	0.779	3	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<2>,2|C<3>}	110.4227	1.514	3	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	111.0867	1.853	12	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<4>,1|C<3>,1|C<4>}	110.9210	0.933	12	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	110.8956	0.956	32	110.6539	1.545	428	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Br<1>,2|C<3>}	110.0833	1.453	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<2>,2|H<1>}	110.9090	1.221	4	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<2>}	110.1209	1.399	9	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	109.9414	1.978	36	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|O<1>}	110.4036	1.618	9	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	109.9366	1.876	1236	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	110.3996	1.693	45	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|S<2>}	110.5930	2.050	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|S<4>}	110.2873	1.730	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	109.9435	1.509	12	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	110.3034	4.392	29	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|S<2>}	110.5207	1.736	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	110.5598	2.548	9	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	110.5774	1.854	25	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Co<5>,1|C<4>,2|C<3>}	110.5143	1.353	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<2>,1|N<3>}	109.4045	2.047	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<3>,1|P<4>}	110.0005	1.848	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Ho<14>,1|C<5>,2|C<4>}	110.3113	1.502	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Ho<15>,1|C<5>,2|C<4>}	110.3300	1.951	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Lu<14>,1|C<5>,2|C<4>}	110.2587	1.717	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|N<3>,1|U<9>,2|C<4>}	110.0753	1.599	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	109.9540	1.900	162	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	109.9483	2.408	12	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	109.9883	1.855	125	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Ni<5>,1|C<3>,2|C<4>}	110.5797	2.069	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Ru<10>,1|O<2>,2|C<4>}	110.5308	1.832	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Ta<13>,1|N<3>,2|C<4>}	110.5887	1.631	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Ti<10>,1|N<3>,2|C<4>}	110.8043	2.052	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Ti<13>,1|O<3>,2|C<4>}	110.5987	1.255	12	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Ti<9>,1|O<3>,2|C<4>}	110.5827	1.985	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|U<12>,1|C<3>,1|C<4>,1|N<3>}	110.3287	1.608	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|U<16>,1|N<3>,2|C<4>}	110.2450	1.466	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|W<14>,1|N<3>,2|C<4>}	110.0823	1.621	12	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Y<14>,1|C<5>,2|C<4>}	110.2987	1.510	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){1|Yb<14>,1|N<3>,2|C<4>}	110.4552	1.382	6	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){3|C<3>}	110.2147	1.531	3	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)2(CC3){3|C<4>}	110.4567	1.578	102	110.0248	3.634	1929	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3){1|C<3>,1|O<1>,1|S<2>}	111.1642	2.413	6	111.1642	5.821	6	110.1630	3.149	2736	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	109.5320	1.902	6	109.8537	2.555	32	109.7413	2.892	33	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	109.6867	1.310	18	109.8537	2.555	32	109.7413	2.892	33	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<4>,2|C<3>}	110.4705	1.992	8	109.8537	2.555	32	109.7413	2.892	33	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|H<1>}	106.1460	0.000	1	106.1460	0.000	1	109.7413	2.892	33	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[6]-3:C[6]-3:C-4:	C(C[6]Ge[6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](Ge[6]C[6]Ru)(C[6]C[6]H)(CC3)	C(C[6]Ge[6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](Ge[6]C[6]Ru)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	110.9933	1.123	3	110.9933	1.262	3	110.9933	1.262	3	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-4:	C(C[6]N[4,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3)	C(C[6]N[4,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,3|C<4>}	110.3920	2.463	3	110.3920	6.065	3	110.3920	6.065	3	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CClHH)(CH3)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CClHH)(CH3)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	108.9715	1.156	2	108.9715	1.337	2	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	110.2881	2.122	97	110.2881	4.502	97	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	110.1920	1.686	3	110.1920	2.841	3	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	110.2843	1.367	3	110.2843	1.869	3	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>}	109.5138	1.474	6	109.5138	2.172	6	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	111.2757	5.702	12	111.2784	23.859	30	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	111.3687	3.080	6	111.2784	23.859	30	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	111.3097	5.868	6	111.2784	23.859	30	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	111.1623	4.786	6	111.2784	23.859	30	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	111.4892	5.192	6	111.2487	22.300	24	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	111.0912	5.493	6	111.2487	22.300	24	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	110.6500	3.923	6	111.2487	22.300	24	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	111.7643	5.405	6	111.2487	22.300	24	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.8403	1.848	3	111.6257	13.090	6	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	111.4110	5.401	3	111.6257	13.090	6	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3){1|Cl<1>,1|C<4>,1|N<2>,4|N<3>}	110.2247	1.972	3	110.2247	3.888	3	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	112.5167	0.241	3	112.5167	0.058	3	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	111.0160	0.687	4	111.0160	0.472	4	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	112.5360	0.170	2	111.8276	0.479	5	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	111.3553	0.327	3	111.8276	0.479	5	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHP)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHP)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	111.1500	0.000	1	111.1500	0.000	1	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	111.2070	0.000	1	111.2070	0.000	1	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	109.0610	3.075	2	109.9093	4.112	6	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	110.3335	1.727	4	109.9093	4.112	6	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CPtHH)(CH3)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CPtHH)(CH3)2	C(CC[6]CC)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	109.4218	2.949	4	109.4218	8.698	4	110.6233	9.459	198	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[3x6]-3:C[5,6]-3:C-4:	C(C[6]C[5,6]P[3x6])(CH3)3	C(CC[6]CC)(H)3	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3)	C(C[6]C[5,6]P[3x6])(CH3)3	C(CC[6]CC)(H)3	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3){2|C<3>,2|H<1>,6|C<4>}	112.2663	5.266	3	112.2663	27.726	3	112.2663	27.726	3	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6]-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)2	C(CC[6]CN)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	110.1180	2.411	4	110.1180	5.813	4	110.1180	5.813	4	110.1986	3.599	3017	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C(C[6]C[5,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	C(C[6]C[5,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	110.6637	1.916	12	110.6637	3.670	12	110.8306	6.036	18	110.7879	5.137	30	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C(C[6]C[5,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]DyO)(CC3)	C(C[6]C[5,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]DyO)(CC3){1|O<2>,1|S<2>,2|C<3>}	111.1643	3.500	6	111.1643	12.247	6	110.8306	6.036	18	110.7879	5.137	30	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.7238	2.051	12	110.7238	4.208	12	110.7238	4.208	12	110.7879	5.137	30	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]NdO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]NdO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.5063	1.715	16	110.5063	2.943	16	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	109.8222	2.017	9	109.8222	4.067	9	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3){3|C<3>}	110.1813	1.906	3	110.1813	3.634	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3){1|C<4>,2|H<1>}	110.8290	8.167	3	110.8290	66.704	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	111.0665	1.204	2	111.0665	1.450	2	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	110.5658	1.265	22	110.6336	1.273	37	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|P<4>}	110.7226	0.942	9	110.6336	1.273	37	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	110.7490	0.985	6	110.6336	1.273	37	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	110.8527	4.797	3	110.8527	23.011	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){2|C<4>,3|H<1>}	110.7057	1.210	3	110.7057	1.465	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	111.2455	2.690	6	111.2455	7.239	6	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	110.9603	1.784	6	110.9603	3.183	6	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]LaH)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]LaH)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	110.3977	1.841	3	110.3977	3.389	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]LuN)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]LuN)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	110.8310	2.177	3	110.8310	4.738	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	111.3370	1.558	3	111.3370	2.426	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]MoP)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]MoP)(C[6]C[6]H)(CC3){3|C<4>}	110.2127	1.550	12	110.2127	2.402	12	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	110.9467	2.647	3	110.9467	7.006	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	110.8853	1.986	3	110.9072	5.863	9	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	110.9182	2.793	6	110.9072	5.863	9	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	110.5430	2.039	3	110.5430	4.157	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.2135	1.669	6	110.3974	2.277	9	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|P<4>}	110.7653	1.355	3	110.3974	2.277	9	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	110.9678	1.284	6	110.6749	1.033	18	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	110.5285	0.882	12	110.6749	1.033	18	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.4862	1.234	10	110.5561	1.184	13	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	110.7890	0.381	3	110.5561	1.184	13	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	111.5380	1.282	3	111.5380	1.644	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]RuO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]RuO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>}	110.9475	1.471	6	110.9475	2.165	6	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	110.6143	1.011	3	110.6143	1.022	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.3703	1.077	3	110.6787	1.105	21	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	110.7301	1.070	18	110.6787	1.105	21	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.6422	1.286	6	110.5179	2.688	47	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<3>}	110.1694	1.928	14	110.5179	2.688	47	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	110.4832	1.674	12	110.5179	2.688	47	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	110.9225	1.575	12	110.5179	2.688	47	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	110.4163	1.600	3	110.5179	2.688	47	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	110.9193	1.452	6	110.9193	2.107	6	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>}	110.3862	1.715	6	110.6822	1.812	36	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|S<3>}	110.2520	1.166	6	110.6822	1.812	36	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	110.8270	1.984	6	110.6822	1.812	36	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	110.8759	1.079	18	110.6822	1.812	36	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3){1|C<4>,1|O<1>,1|S<4>}	110.7900	3.155	3	110.7900	9.951	3	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CHHW)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CHHW)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	111.2060	0.000	1	111.2060	0.000	1	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CYbHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CYbHH)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	110.7225	1.790	4	110.7225	3.203	4	110.6331	2.793	294	110.6331	2.793	294	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	6:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	112.0607	4.005	3	112.0607	16.038	3	111.4803	13.341	9	111.4803	13.341	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:1:1:1:	6:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C(CC[6]CC)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	111.1902	3.824	6	111.1902	14.627	6	111.4803	13.341	9	111.4803	13.341	9	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:2:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:Cl-2:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CClHH)(CH3)2	C(CC[6]CC)(ClPt)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CClHH)(CH3)2	C(CC[6]CC)(ClPt)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	115.8870	0.000	1	115.8870	0.000	1	115.8870	0.000	1	115.8870	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:2:1:1:	4:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:H-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(HCa)(H)2	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(HCa)(H)2	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CNO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CNO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	112.1880	0.000	1	112.1880	0.000	1	112.1880	0.000	1	110.6406	4.730	16	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NAlC)(H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NAlC)(H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	109.6332	2.149	6	109.6332	4.620	6	109.7495	3.366	11	110.6406	4.730	16	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	109.8892	1.611	5	109.8892	2.595	5	109.7495	3.366	11	110.6406	4.730	16	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:S-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(SFe2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(SFe2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|H<1>}	113.5475	2.450	2	113.5475	6.003	2	113.5475	6.003	2	110.6406	4.730	16	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(SFe2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(SFe2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	111.8605	0.531	2	111.8605	0.282	2	111.8605	0.282	2	110.6406	4.730	16	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CC3)(H)2	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CC3)(H)2	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|H<1>}	112.6620	0.000	1	112.1853	0.471	3	112.9220	2.485	4	110.7967	4.683	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CC3)(H)2	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CC3)(H)2	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|S<3>}	111.9470	0.775	2	112.1853	0.471	3	112.9220	2.485	4	110.7967	4.683	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6a]HH)(CC[6]CC)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6a]HH)(CC[6]CC)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	115.1320	0.000	1	115.1320	0.000	1	112.9220	2.485	4	110.7967	4.683	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuCH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	110.9757	0.853	3	110.9757	0.727	3	110.2493	3.282	13	110.7967	4.683	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	109.7030	3.218	4	109.7030	10.353	4	110.2493	3.282	13	110.7967	4.683	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	110.5060	1.119	2	110.5060	1.251	2	110.2493	3.282	13	110.7967	4.683	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	110.1225	0.940	4	110.1225	0.884	4	110.2493	3.282	13	110.7967	4.683	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6]-3:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CHHP)2(CH3)	C(PC[6a]2Ru)(CC[6]CC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHP)2(CH3)	C(PC[6a]2Ru)(CC[6]CC)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	110.1040	3.811	2	110.1040	14.526	2	110.1040	14.526	2	110.7967	4.683	19	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:5:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CCaH3)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CCaH3)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	110.6615	1.105	2	110.6615	1.221	2	110.0819	3.170	8	110.0819	3.170	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:5:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3U)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3U)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	109.8725	1.988	2	109.8725	3.951	2	110.0819	3.170	8	110.0819	3.170	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:5:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CH3Y)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3Y)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	110.1400	2.768	2	110.1400	7.660	2	110.0819	3.170	8	110.0819	3.170	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:5:4:4:	4:1:1:1:	4:3:4:	C[6]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(CLuH3)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CLuH3)(CH3)2	C(CC[6]CC)(H)3	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	109.6535	2.867	2	109.6535	8.222	2	110.0819	3.170	8	110.0819	3.170	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	3:5:5:4:	4:1:1:1:	3:3:4:	C[6]-3:C-5:C-5:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(CTaHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Ta)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CTaHHN)2(CH3)	C(CC[6]CC)(H)3	C[6](N[6]C[6]Ta)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	3:3:4:1:	3:3:4:	C[5]-4:C[6]-3:C-4:H-1:	C[5]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	3:4:2:1:	3:3:4:	C[6]-4:C[6]-3:C-4:O-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C[6](C[6]C[6]H)2(CC[6]CO)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C[6](C[6]C[6]H)2(CC[6]CO){1|C<2>,2|H<1>}	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	4:1:1:1:	3:2:4:	C[5]-4:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C(CC[5]C[6]H)(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C(CC[5]C[6]H)(H)3	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	4:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	C(CC[6]2H)(H)3	C[6](C[6]C[6]H)2(CC[6]CH)	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	C(CC[6]2H)(H)3	C[6](C[6]C[6]H)2(CC[6]CH){1|C<2>,2|H<1>}	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	4:1:1:1:	4:2:4:	C[5]-4:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	C(CC[5]C[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(CC[5]CH)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	C(CC[5]C[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5]-4:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C(CC[5]C[6]H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C(CC[5]C[6]H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH){1|C<4>,1|O<1>,2|H<1>}	115.6505	0.614	2	115.6505	0.378	2	115.6505	0.378	2	115.6505	0.378	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	4:4:1:1:	3:3:4:	N[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C(CC[6]N[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH)	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C(CC[6]N[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH){1|C<3>,2|H<1>}	113.5175	1.178	4	113.5175	1.388	4	113.5175	1.388	4	112.0204	8.894	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	4:4:1:1:	3:3:4:	P-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHP)	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHP){1|C<4>,4|H<1>}	108.4390	0.000	2	108.4390	0.000	2	110.5232	13.388	4	112.0204	8.894	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	4:4:1:1:	3:3:4:	P-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP)	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP){1|C<4>,4|H<1>}	115.9830	0.000	1	115.9830	0.000	1	110.5232	13.388	4	112.0204	8.894	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:1:	4:4:1:1:	3:3:4:	P-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]Re)(N[6]C[6]C)(CCHP)	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	C[6](N[6]C[6]Re)(N[6]C[6]C)(CCHP){1|C<4>,4|H<1>}	109.2320	0.000	1	109.2320	0.000	1	110.5232	13.388	4	112.0204	8.894	8	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:2:	4:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C(CC[6]2O)(H)3	C[6](C[6]C[6]H)2(CC[6]CO)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C(CC[6]2O)(H)3	C[6](C[6]C[6]H)2(CC[6]CO){1|C<3>,1|H<1>}	115.1150	0.000	1	115.1150	0.000	1	115.1150	0.000	1	115.1150	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:3:	3:3:4:1:	3:2:4:	C-4:C[6]-3:C-4:C-3:	N[5]-3:C[6a]-3:C-4:H-1:	C[6]-3:C[6]-2:C-4:	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|C<3>,2|H<1>}	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:3:	4:3:1:1:	3:2:4:	C-4:C[6]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C(CC[6]CC)(CCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C(CC[6]CC)(CCC)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|C<3>,2|H<1>}	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:4:	4:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6]Rh)(C[6]C[6]N[6])(CH3)2	C(CC[6]2C)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6]Rh)(C[6]C[6]N[6])(CH3)2	C(CC[6]2C)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC){1|C<3>,2|H<1>}	109.4560	3.049	2	109.4560	9.297	2	109.4560	9.297	2	109.4560	9.297	2	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5]-4:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[5]C[5]2U)(C[6]C[6]2)(CH3)2	C(CC[5]C[6]C)(H)3	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC)	C(C[5]C[5]2U)(C[6]C[6]2)(CH3)2	C(CC[5]C[6]C)(H)3	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC){1|C<3>,2|H<1>}	109.8520	1.410	2	109.8520	1.988	2	111.1332	1.651	10	111.1332	1.651	10	111.0959	5.937	6038	111.1151	5.961	6111
490	490	762	0:SP3_SP2_SP3	C	C	C[6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5]-4:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[5]C[5]N[5]U)(C[6]C[6]2)(CH3)2	C(CC[5]C[6]C)(H)3	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC)	C(C[5]C[5]N[5]U)(C[6]C[6]2)(CH3)2	C(CC[5]C[6]C)(H)3	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.4535	1.119	8	111.4535	1.252	8	111.1332	1.651	10	111.1332	1.651	10	111.0959	5.937	6038	111.1151	5.961	6111